2-methyl-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]pyrazole-3-carboxamide

C15H20N4OS — CID 136522684

IUPAC2-methyl-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]pyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NCCCc1nc2c(s1)CCCC2
InChIInChI=1S/C15H20N4OS/c1-19-12(8-10-17-19)15(20)16-9-4-7-14-18-11-5-2-3-6-13(11)21-14/h8,10H,2-7,9H2,1H3,(H,16,20)
InChIKeyWTFXQTNMNBBFAO-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.12
Rot. Bonds5

About 2-methyl-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]pyrazole-3-carboxamide

2-methyl-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]pyrazole-3-carboxamide (PubChem CID 136522684) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 2-methyl-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]pyrazole-3-carboxamide
PubChem CID136522684
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name2-methyl-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]pyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NCCCc1nc2c(s1)CCCC2
InChIInChI=1S/C15H20N4OS/c1-19-12(8-10-17-19)15(20)16-9-4-7-14-18-11-5-2-3-6-13(11)21-14/h8,10H,2-7,9H2,1H3,(H,16,20)
InChIKeyWTFXQTNMNBBFAO-UHFFFAOYSA-N
XLogP2.12
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-methylpyrazole-3-carboxamide
CID 110467175
2-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pyrazole-3-carboxamide
CID 110467157
(E)-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]but-2-enamide
CID 110459785
N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]thiophene-2-carboxamide
CID 110442389
3-oxo-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]butanamide
CID 110460663
2-(aminomethyl)-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119771916
1-amino-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]cyclopentane-1-carboxamide
CID 119316792
N-(3-chloropropyl)-2-methylpyrazole-3-carboxamide
CID 17167946
2,5,7-trimethyl-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 99803603
5-oxo-5-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propylamino]pentanoic acid
CID 110442636
N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-1H-imidazole-2-carboxamide
CID 110466591
N-(3-methoxypropyl)-2-methylpyrazole-3-carboxamide
CID 19475749

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]pyrazole-3-carboxamide?
The IUPAC name of 2-methyl-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]pyrazole-3-carboxamide (CID 136522684) is 2-methyl-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]pyrazole-3-carboxamide?
The canonical SMILES for 2-methyl-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]pyrazole-3-carboxamide is Cn1nccc1C(=O)NCCCc1nc2c(s1)CCCC2.
What is the InChIKey of 2-methyl-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]pyrazole-3-carboxamide?
The InChIKey is WTFXQTNMNBBFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-19-12(8-10-17-19)15(20)16-9-4-7-14-18-11-5-2-3-6-13(11)21-14/h8,10H,2-7,9H2,1H3,(H,16,20).
What are the key properties of 2-methyl-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]pyrazole-3-carboxamide?
2-methyl-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]pyrazole-3-carboxamide has a molecular weight of 304.42 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]pyrazole-3-carboxamide is sourced from PubChem (CID 136522684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).