N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide

C19H16N6OS2 — CID 31404653

IUPACN-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccsc2)sc1C(=O)Nc1ccc(-c2nnnn2C2CC2)cc1
InChIInChI=1S/C19H16N6OS2/c1-11-16(28-19(20-11)13-8-9-27-10-13)18(26)21-14-4-2-12(3-5-14)17-22-23-24-25(17)15-6-7-15/h2-5,8-10,15H,6-7H2,1H3,(H,21,26)
InChIKeyIWAICDRDGMNDJS-UHFFFAOYSA-N
MW408.51 g/mol
LogP4.42
Rot. Bonds5

About N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide

N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide (PubChem CID 31404653) has the molecular formula C19H16N6OS2 and a molecular weight of 408.51 g/mol. Its IUPAC name is N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
PubChem CID31404653
Molecular FormulaC19H16N6OS2
Molecular Weight408.51 g/mol
Exact Mass408.08
IUPAC NameN-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccsc2)sc1C(=O)Nc1ccc(-c2nnnn2C2CC2)cc1
InChIInChI=1S/C19H16N6OS2/c1-11-16(28-19(20-11)13-8-9-27-10-13)18(26)21-14-4-2-12(3-5-14)17-22-23-24-25(17)15-6-7-15/h2-5,8-10,15H,6-7H2,1H3,(H,21,26)
InChIKeyIWAICDRDGMNDJS-UHFFFAOYSA-N
XLogP4.42
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-methyl-N-phenyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 8871070
N-(4-cyclopentylsulfonylphenyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 39177524
N-(3,5-dimethylphenyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 17497475
N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 24661436
N-(4-carbamoyl-3-chlorophenyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 39170277
N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]propanamide
CID 60724572
N-(3-acetylphenyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 9078887
4-methyl-N-(3-methylsulfonylphenyl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 25497583
4-(1-cyclopropyltetrazol-5-yl)-N-methylaniline
CID 63090376
N-cyano-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 79194223
(E)-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]but-2-enamide
CID 112725246
1-(4-fluorophenyl)-3-[(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)amino]thiourea
CID 9085390

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide (CID 31404653) is N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccsc2)sc1C(=O)Nc1ccc(-c2nnnn2C2CC2)cc1.
What is the InChIKey of N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The InChIKey is IWAICDRDGMNDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6OS2/c1-11-16(28-19(20-11)13-8-9-27-10-13)18(26)21-14-4-2-12(3-5-14)17-22-23-24-25(17)15-6-7-15/h2-5,8-10,15H,6-7H2,1H3,(H,21,26).
What are the key properties of N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide has a molecular weight of 408.51 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 31404653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).