N-[cyclopropyl-(3-methyl-2-pyridinyl)methyl]-2-(methylamino)-1,3-thiazole-4-carboxamide

C15H18N4OS — CID 122563544

IUPACN-[cyclopropyl-(3-methyl-2-pyridinyl)methyl]-2-(methylamino)-1,3-thiazole-4-carboxamide
SMILESCNc1nc(C(=O)NC(c2ncccc2C)C2CC2)cs1
InChIInChI=1S/C15H18N4OS/c1-9-4-3-7-17-12(9)13(10-5-6-10)19-14(20)11-8-21-15(16-2)18-11/h3-4,7-8,10,13H,5-6H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyWLQWZFHGDFONQJ-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.77
Rot. Bonds5

About N-[cyclopropyl-(3-methyl-2-pyridinyl)methyl]-2-(methylamino)-1,3-thiazole-4-carboxamide

N-[cyclopropyl-(3-methyl-2-pyridinyl)methyl]-2-(methylamino)-1,3-thiazole-4-carboxamide (PubChem CID 122563544) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is N-[cyclopropyl-(3-methyl-2-pyridinyl)methyl]-2-(methylamino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[cyclopropyl-(3-methyl-2-pyridinyl)methyl]-2-(methylamino)-1,3-thiazole-4-carboxamide
PubChem CID122563544
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC NameN-[cyclopropyl-(3-methyl-2-pyridinyl)methyl]-2-(methylamino)-1,3-thiazole-4-carboxamide
SMILESCNc1nc(C(=O)NC(c2ncccc2C)C2CC2)cs1
InChIInChI=1S/C15H18N4OS/c1-9-4-3-7-17-12(9)13(10-5-6-10)19-14(20)11-8-21-15(16-2)18-11/h3-4,7-8,10,13H,5-6H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyWLQWZFHGDFONQJ-UHFFFAOYSA-N
XLogP2.77
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[cyclopropyl-(3-methyl-2-pyridinyl)methyl]-2-methoxy-6-methylbenzamide
CID 118778909
N-[(S)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-2-pyrrol-1-ylacetamide
CID 125171906
N-[cyclopropyl-(3-methyl-2-pyridinyl)methyl]-3-methoxy-2,2-dimethylpropanamide
CID 122569055
N-[cyclopropyl-(3-methyl-2-pyridinyl)methyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 77084554
N-[cyclopropyl-(3-methyl-2-pyridinyl)methyl]-4-(6-methoxypyridazin-3-yl)benzamide
CID 119061888
N-[(S)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-3-phenoxypropanamide
CID 125163176
N-[(S)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-4-pyrazol-1-ylbutanamide
CID 125160409
N-[cyclopropyl-(3-methyl-2-pyridinyl)methyl]-2-pyridin-3-ylacetamide
CID 118791325
N-[(R)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 125165962
N-[(R)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)benzamide
CID 125159915
2-(2-aminoethyl)-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-1,3-thiazole-4-carboxamide
CID 120646793
1-[(S)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-3-(1-methyl-3-propan-2-ylpyrazol-5-yl)urea
CID 125164383

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(3-methyl-2-pyridinyl)methyl]-2-(methylamino)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[cyclopropyl-(3-methyl-2-pyridinyl)methyl]-2-(methylamino)-1,3-thiazole-4-carboxamide (CID 122563544) is N-[cyclopropyl-(3-methyl-2-pyridinyl)methyl]-2-(methylamino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[cyclopropyl-(3-methyl-2-pyridinyl)methyl]-2-(methylamino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[cyclopropyl-(3-methyl-2-pyridinyl)methyl]-2-(methylamino)-1,3-thiazole-4-carboxamide is CNc1nc(C(=O)NC(c2ncccc2C)C2CC2)cs1.
What is the InChIKey of N-[cyclopropyl-(3-methyl-2-pyridinyl)methyl]-2-(methylamino)-1,3-thiazole-4-carboxamide?
The InChIKey is WLQWZFHGDFONQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-9-4-3-7-17-12(9)13(10-5-6-10)19-14(20)11-8-21-15(16-2)18-11/h3-4,7-8,10,13H,5-6H2,1-2H3,(H,16,18)(H,19,20).
What are the key properties of N-[cyclopropyl-(3-methyl-2-pyridinyl)methyl]-2-(methylamino)-1,3-thiazole-4-carboxamide?
N-[cyclopropyl-(3-methyl-2-pyridinyl)methyl]-2-(methylamino)-1,3-thiazole-4-carboxamide has a molecular weight of 302.40 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(3-methyl-2-pyridinyl)methyl]-2-(methylamino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 122563544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).