2-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)tetrazole-5-carboxamide

C12H10N6O2S — CID 71791392

IUPAC2-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)tetrazole-5-carboxamide
SMILESCOc1ccc(-n2nnc(C(=O)Nc3nccs3)n2)cc1
InChIInChI=1S/C12H10N6O2S/c1-20-9-4-2-8(3-5-9)18-16-10(15-17-18)11(19)14-12-13-6-7-21-12/h2-7H,1H3,(H,13,14,19)
InChIKeyKXSBEPHPIPGECM-UHFFFAOYSA-N
MW302.32 g/mol
LogP1.38
Rot. Bonds4

About 2-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)tetrazole-5-carboxamide

2-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)tetrazole-5-carboxamide (PubChem CID 71791392) has the molecular formula C12H10N6O2S and a molecular weight of 302.32 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)tetrazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)tetrazole-5-carboxamide
PubChem CID71791392
Molecular FormulaC12H10N6O2S
Molecular Weight302.32 g/mol
Exact Mass302.06
IUPAC Name2-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)tetrazole-5-carboxamide
SMILESCOc1ccc(-n2nnc(C(=O)Nc3nccs3)n2)cc1
InChIInChI=1S/C12H10N6O2S/c1-20-9-4-2-8(3-5-9)18-16-10(15-17-18)11(19)14-12-13-6-7-21-12/h2-7H,1H3,(H,13,14,19)
InChIKeyKXSBEPHPIPGECM-UHFFFAOYSA-N
XLogP1.38
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.32
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 2-[2-[[2-(4-methoxyphenyl)tetrazole-5-carbonyl]amino]-1,3-thiazol-4-yl]acetate
CID 71791393
N-(4-methoxyphenyl)-N'-(1,3-thiazol-2-yl)oxamide
CID 45000900
2-(4-methoxyphenyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]tetrazole-5-carboxamide
CID 71791407
2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 718204
2-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 770967
2-(4-methoxyphenyl)-4-methyl-N-(1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 9043782
(2R)-2-(4-methoxyphenoxy)-N-(1,3-thiazol-2-yl)propanamide
CID 719476
2-(4-methoxyanilino)-N-(1,3-thiazol-2-yl)benzamide
CID 52612392
4-methoxy-6-propan-2-yloxy-N-(1,3-thiazol-2-yl)-1,3,5-triazine-2-carboxamide
CID 87420034
1-benzyl-3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 17426569
4-methoxy-N-[4-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 41213386
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]tetrazole-5-carboxamide
CID 71791604

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)tetrazole-5-carboxamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)tetrazole-5-carboxamide (CID 71791392) is 2-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)tetrazole-5-carboxamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)tetrazole-5-carboxamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)tetrazole-5-carboxamide is COc1ccc(-n2nnc(C(=O)Nc3nccs3)n2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)tetrazole-5-carboxamide?
The InChIKey is KXSBEPHPIPGECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N6O2S/c1-20-9-4-2-8(3-5-9)18-16-10(15-17-18)11(19)14-12-13-6-7-21-12/h2-7H,1H3,(H,13,14,19).
What are the key properties of 2-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)tetrazole-5-carboxamide?
2-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)tetrazole-5-carboxamide has a molecular weight of 302.32 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)tetrazole-5-carboxamide is sourced from PubChem (CID 71791392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).