2-[3-[[(5-chlorothiophene-2-carbonyl)amino]methyl]phenyl]-5-methyl-1,4,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide

C20H21ClN4O2S2 — CID 25050431

IUPAC2-[3-[[(5-chlorothiophene-2-carbonyl)amino]methyl]phenyl]-5-methyl-1,4,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
SMILESCN1CCC2=C(C1)SC(C(N)=O)(c1cccc(CNC(=O)c3ccc(Cl)s3)c1)N2
InChIInChI=1S/C20H21ClN4O2S2/c1-25-8-7-14-16(11-25)29-20(24-14,19(22)27)13-4-2-3-12(9-13)10-23-18(26)15-5-6-17(21)28-15/h2-6,9,24H,7-8,10-11H2,1H3,(H2,22,27)(H,23,26)
InChIKeySHIWNVUPOUCXHQ-UHFFFAOYSA-N
MW449.00 g/mol
LogP2.85
Rot. Bonds5

About 2-[3-[[(5-chlorothiophene-2-carbonyl)amino]methyl]phenyl]-5-methyl-1,4,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide

2-[3-[[(5-chlorothiophene-2-carbonyl)amino]methyl]phenyl]-5-methyl-1,4,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (PubChem CID 25050431) has the molecular formula C20H21ClN4O2S2 and a molecular weight of 449.00 g/mol. Its IUPAC name is 2-[3-[[(5-chlorothiophene-2-carbonyl)amino]methyl]phenyl]-5-methyl-1,4,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name2-[3-[[(5-chlorothiophene-2-carbonyl)amino]methyl]phenyl]-5-methyl-1,4,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
PubChem CID25050431
Molecular FormulaC20H21ClN4O2S2
Molecular Weight449.00 g/mol
Exact Mass448.08
IUPAC Name2-[3-[[(5-chlorothiophene-2-carbonyl)amino]methyl]phenyl]-5-methyl-1,4,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
SMILESCN1CCC2=C(C1)SC(C(N)=O)(c1cccc(CNC(=O)c3ccc(Cl)s3)c1)N2
InChIInChI=1S/C20H21ClN4O2S2/c1-25-8-7-14-16(11-25)29-20(24-14,19(22)27)13-4-2-3-12(9-13)10-23-18(26)15-5-6-17(21)28-15/h2-6,9,24H,7-8,10-11H2,1H3,(H2,22,27)(H,23,26)
InChIKeySHIWNVUPOUCXHQ-UHFFFAOYSA-N
XLogP2.85
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.00
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[3-[[(5-chlorothiophene-2-carbonyl)amino]methyl]phenyl]-5-methyl-1,4,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide with MolForge

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Related Compounds

5-chloro-N-[(3-chlorophenyl)methyl]thiophene-2-carboxamide
CID 9165422
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;hydrochloride
CID 57393196
5-chloro-N-[(3R)-1-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxohexan-3-yl]thiophene-2-carboxamide
CID 158525759
N-[(4-aminophenyl)methyl]-5-chlorothiophene-2-carboxamide
CID 62278190
N-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-6-(4-methylpiperazine-1-carbonyl)phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 25051119
(1-carbamoyl-5-methyl-2,4,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl) 3-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-1,2,4-oxadiazole-5-carboxylate
CID 91243205
N-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-6-(morpholine-4-carbonyl)phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 25051118
N-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-6-(3-oxopiperazine-1-carbonyl)phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 25051120
5-chloro-N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]thiophene-2-carboxamide
CID 97042595
N-[(4-bromophenyl)methyl]-5-chlorothiophene-2-carboxamide
CID 62276684
N-[(3-carbamoylphenyl)methyl]-5-(3,5-dichlorophenyl)thiophene-2-carboxamide
CID 52680419
5-chloro-N-[(6-hydroxy-1,4-dithiepan-6-yl)methyl]thiophene-2-carboxamide
CID 146080055

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[(5-chlorothiophene-2-carbonyl)amino]methyl]phenyl]-5-methyl-1,4,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The IUPAC name of 2-[3-[[(5-chlorothiophene-2-carbonyl)amino]methyl]phenyl]-5-methyl-1,4,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (CID 25050431) is 2-[3-[[(5-chlorothiophene-2-carbonyl)amino]methyl]phenyl]-5-methyl-1,4,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.
What is the SMILES notation for 2-[3-[[(5-chlorothiophene-2-carbonyl)amino]methyl]phenyl]-5-methyl-1,4,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The canonical SMILES for 2-[3-[[(5-chlorothiophene-2-carbonyl)amino]methyl]phenyl]-5-methyl-1,4,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is CN1CCC2=C(C1)SC(C(N)=O)(c1cccc(CNC(=O)c3ccc(Cl)s3)c1)N2.
What is the InChIKey of 2-[3-[[(5-chlorothiophene-2-carbonyl)amino]methyl]phenyl]-5-methyl-1,4,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The InChIKey is SHIWNVUPOUCXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O2S2/c1-25-8-7-14-16(11-25)29-20(24-14,19(22)27)13-4-2-3-12(9-13)10-23-18(26)15-5-6-17(21)28-15/h2-6,9,24H,7-8,10-11H2,1H3,(H2,22,27)(H,23,26).
What are the key properties of 2-[3-[[(5-chlorothiophene-2-carbonyl)amino]methyl]phenyl]-5-methyl-1,4,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
2-[3-[[(5-chlorothiophene-2-carbonyl)amino]methyl]phenyl]-5-methyl-1,4,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide has a molecular weight of 449.00 g/mol, XLogP of 2.85, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[(5-chlorothiophene-2-carbonyl)amino]methyl]phenyl]-5-methyl-1,4,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 25050431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).