N-[3-[(5-chlorothiophene-2-carbonyl)amino]propyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide

C16H19ClN4O2S2 — CID 53323722

IUPACN-[3-[(5-chlorothiophene-2-carbonyl)amino]propyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
SMILESCN1CCc2nc(C(=O)NCCCNC(=O)c3ccc(Cl)s3)sc2C1
InChIInChI=1S/C16H19ClN4O2S2/c1-21-8-5-10-12(9-21)25-16(20-10)15(23)19-7-2-6-18-14(22)11-3-4-13(17)24-11/h3-4H,2,5-9H2,1H3,(H,18,22)(H,19,23)
InChIKeyDFFILTHBYHHFFR-UHFFFAOYSA-N
MW398.94 g/mol
LogP2.40
Rot. Bonds6

About N-[3-[(5-chlorothiophene-2-carbonyl)amino]propyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide

N-[3-[(5-chlorothiophene-2-carbonyl)amino]propyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (PubChem CID 53323722) has the molecular formula C16H19ClN4O2S2 and a molecular weight of 398.94 g/mol. Its IUPAC name is N-[3-[(5-chlorothiophene-2-carbonyl)amino]propyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(5-chlorothiophene-2-carbonyl)amino]propyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
PubChem CID53323722
Molecular FormulaC16H19ClN4O2S2
Molecular Weight398.94 g/mol
Exact Mass398.06
IUPAC NameN-[3-[(5-chlorothiophene-2-carbonyl)amino]propyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
SMILESCN1CCc2nc(C(=O)NCCCNC(=O)c3ccc(Cl)s3)sc2C1
InChIInChI=1S/C16H19ClN4O2S2/c1-21-8-5-10-12(9-21)25-16(20-10)15(23)19-7-2-6-18-14(22)11-3-4-13(17)24-11/h3-4H,2,5-9H2,1H3,(H,18,22)(H,19,23)
InChIKeyDFFILTHBYHHFFR-UHFFFAOYSA-N
XLogP2.40
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.94
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-({[(5-Chlorothiophen-2-Yl)carbonyl]amino}methyl)phenyl]-5-Methyl-4,5,6,7-Tetrahydro[1,3]thiazolo[5,4-C]pyridine-2-Carboxamide
CID 24936173
N-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-6-(dimethylcarbamoyl)phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 25050946
N-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-6-(methylcarbamoyl)phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 25051116
N-[2-carbamoyl-6-[[(5-chlorothiophene-2-carbonyl)amino]methyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 25051117
N-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride
CID 51351553
N-[(1R*,2S*)-2-({[(5-Chlorothiophen-2-yl)carbonyl]amino}methyl)cyclohexyl]-5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 53317693
N-[(1R*,2R*)-2-({[(5-Chlorothiophen-2-yl)carbonyl]amino}methyl)cyclohexyl]-5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 53321019
N-[2-({[(5-Chlorothiophen-2-yl)carbonyl]amino}methyl)pyridin-3-yl]-5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 53321020
N-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-5-(methylcarbamoyl)phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 57394027
N-[5-carbamoyl-2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 57399250
N-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-5-(dimethylcarbamoyl)phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 57401018
N-({1-[(5-Methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)carbonyl]piperidin-3-yl}methyl)-5-chlorothiophene-2-carboxamide
CID 53322361

Frequently Asked Questions

What is the IUPAC name of N-[3-[(5-chlorothiophene-2-carbonyl)amino]propyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The IUPAC name of N-[3-[(5-chlorothiophene-2-carbonyl)amino]propyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (CID 53323722) is N-[3-[(5-chlorothiophene-2-carbonyl)amino]propyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-[(5-chlorothiophene-2-carbonyl)amino]propyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The canonical SMILES for N-[3-[(5-chlorothiophene-2-carbonyl)amino]propyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is CN1CCc2nc(C(=O)NCCCNC(=O)c3ccc(Cl)s3)sc2C1.
What is the InChIKey of N-[3-[(5-chlorothiophene-2-carbonyl)amino]propyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The InChIKey is DFFILTHBYHHFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O2S2/c1-21-8-5-10-12(9-21)25-16(20-10)15(23)19-7-2-6-18-14(22)11-3-4-13(17)24-11/h3-4H,2,5-9H2,1H3,(H,18,22)(H,19,23).
What are the key properties of N-[3-[(5-chlorothiophene-2-carbonyl)amino]propyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
N-[3-[(5-chlorothiophene-2-carbonyl)amino]propyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide has a molecular weight of 398.94 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(5-chlorothiophene-2-carbonyl)amino]propyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 53323722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).