N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide

C16H15N5OS2 — CID 32868614

IUPACN-(4-cyclopropyl-1,3-thiazol-2-yl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
SMILESO=C(Nc1nc(C2CC2)cs1)c1ccc(CSc2ncn[nH]2)cc1
InChIInChI=1S/C16H15N5OS2/c22-14(20-16-19-13(8-24-16)11-5-6-11)12-3-1-10(2-4-12)7-23-15-17-9-18-21-15/h1-4,8-9,11H,5-7H2,(H,17,18,21)(H,19,20,22)
InChIKeyKMMAWJKNPWVGHN-UHFFFAOYSA-N
MW357.46 g/mol
LogP3.68
Rot. Bonds6

About N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide

N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide (PubChem CID 32868614) has the molecular formula C16H15N5OS2 and a molecular weight of 357.46 g/mol. Its IUPAC name is N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
PubChem CID32868614
Molecular FormulaC16H15N5OS2
Molecular Weight357.46 g/mol
Exact Mass357.07
IUPAC NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
SMILESO=C(Nc1nc(C2CC2)cs1)c1ccc(CSc2ncn[nH]2)cc1
InChIInChI=1S/C16H15N5OS2/c22-14(20-16-19-13(8-24-16)11-5-6-11)12-3-1-10(2-4-12)7-23-15-17-9-18-21-15/h1-4,8-9,11H,5-7H2,(H,17,18,21)(H,19,20,22)
InChIKeyKMMAWJKNPWVGHN-UHFFFAOYSA-N
XLogP3.68
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide with MolForge

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Related Compounds

N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
CID 78778709
1-N,4-N-bis(4-cyclopropyl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 32869371
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
CID 47057944
N-pyrrolidin-3-yl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
CID 119449836
N-(2-hydroxyethyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
CID 78795124
N-quinolin-2-yl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
CID 9360079
N-(3-methylpiperidin-4-yl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
CID 120556230
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2,3-diethylquinoxaline-6-carboxamide
CID 30858486
N-(2,3-dihydro-1H-inden-5-yl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
CID 8001804
N-(1H-indazol-5-yl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
CID 71943302
N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-[(R)-methylsulfinyl]benzamide
CID 94198052
N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
CID 55505444

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide?
The IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide (CID 32868614) is N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide.
What is the SMILES notation for N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide?
The canonical SMILES for N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide is O=C(Nc1nc(C2CC2)cs1)c1ccc(CSc2ncn[nH]2)cc1.
What is the InChIKey of N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide?
The InChIKey is KMMAWJKNPWVGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5OS2/c22-14(20-16-19-13(8-24-16)11-5-6-11)12-3-1-10(2-4-12)7-23-15-17-9-18-21-15/h1-4,8-9,11H,5-7H2,(H,17,18,21)(H,19,20,22).
What are the key properties of N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide?
N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide has a molecular weight of 357.46 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide is sourced from PubChem (CID 32868614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).