N-[(1-methylsulfanylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide

C9H12N2OS2 — CID 107271732

IUPACN-[(1-methylsulfanylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide
SMILESCSC1(CNC(=O)c2cscn2)CC1
InChIInChI=1S/C9H12N2OS2/c1-13-9(2-3-9)5-10-8(12)7-4-14-6-11-7/h4,6H,2-3,5H2,1H3,(H,10,12)
InChIKeyXECKHQQTVHBYNH-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.77
Rot. Bonds4

About N-[(1-methylsulfanylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide

N-[(1-methylsulfanylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 107271732) has the molecular formula C9H12N2OS2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-[(1-methylsulfanylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1-methylsulfanylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID107271732
Molecular FormulaC9H12N2OS2
Molecular Weight228.34 g/mol
Exact Mass228.04
IUPAC NameN-[(1-methylsulfanylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide
SMILESCSC1(CNC(=O)c2cscn2)CC1
InChIInChI=1S/C9H12N2OS2/c1-13-9(2-3-9)5-10-8(12)7-4-14-6-11-7/h4,6H,2-3,5H2,1H3,(H,10,12)
InChIKeyXECKHQQTVHBYNH-UHFFFAOYSA-N
XLogP1.77
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(2-bromoethyl)cyclopropyl]methyl]-1,3-thiazole-4-carboxamide
CID 114758265
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1,3-thiazole-4-carboxamide
CID 65124143
N-[(3-methoxyoxolan-3-yl)methyl]-1,3-thiazole-4-carboxamide
CID 104708938
N-butyl-1,3-thiazole-4-carboxamide;ethane
CID 176555037
5-chloro-N-[(1-methylsulfanylcyclobutyl)methyl]pyrazine-2-carboxamide
CID 107329698
N-prop-2-enyl-1,3-thiazole-4-carboxamide
CID 63038406
N-[2-(dimethylamino)ethyl]-1,3-thiazole-4-carboxamide
CID 63038055
N-pentyl-1,3-thiazole-4-carboxamide
CID 62045475
N-(4-bromobutyl)-1,3-thiazole-4-carboxamide
CID 106845763
N-(3-acetamidopropyl)-1,3-thiazole-4-carboxamide
CID 84557796
2,6-dichloro-N-[(1-methylsulfanylcyclopropyl)methyl]pyridine-4-carboxamide
CID 107271725
5,6-dichloro-N-[(1-methylsulfanylcyclopropyl)methyl]pyridine-3-carboxamide
CID 107271693

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylsulfanylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(1-methylsulfanylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide (CID 107271732) is N-[(1-methylsulfanylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(1-methylsulfanylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(1-methylsulfanylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide is CSC1(CNC(=O)c2cscn2)CC1.
What is the InChIKey of N-[(1-methylsulfanylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is XECKHQQTVHBYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS2/c1-13-9(2-3-9)5-10-8(12)7-4-14-6-11-7/h4,6H,2-3,5H2,1H3,(H,10,12).
What are the key properties of N-[(1-methylsulfanylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide?
N-[(1-methylsulfanylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 228.34 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylsulfanylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 107271732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).