2-methyl-N-[4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazol-2-yl]thiane-4-carboxamide

C17H18N6OS2 — CID 167837597

IUPAC2-methyl-N-[4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazol-2-yl]thiane-4-carboxamide
SMILESCC1CC(C(=O)Nc2nc(-c3cccc(-n4cnnn4)c3)cs2)CCS1
InChIInChI=1S/C17H18N6OS2/c1-11-7-13(5-6-25-11)16(24)20-17-19-15(9-26-17)12-3-2-4-14(8-12)23-10-18-21-22-23/h2-4,8-11,13H,5-7H2,1H3,(H,19,20,24)
InChIKeyJHSRMUCXBQKWDP-UHFFFAOYSA-N
MW386.51 g/mol
LogP3.26
Rot. Bonds4

About 2-methyl-N-[4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazol-2-yl]thiane-4-carboxamide

2-methyl-N-[4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazol-2-yl]thiane-4-carboxamide (PubChem CID 167837597) has the molecular formula C17H18N6OS2 and a molecular weight of 386.51 g/mol. Its IUPAC name is 2-methyl-N-[4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazol-2-yl]thiane-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazol-2-yl]thiane-4-carboxamide
PubChem CID167837597
Molecular FormulaC17H18N6OS2
Molecular Weight386.51 g/mol
Exact Mass386.10
IUPAC Name2-methyl-N-[4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazol-2-yl]thiane-4-carboxamide
SMILESCC1CC(C(=O)Nc2nc(-c3cccc(-n4cnnn4)c3)cs2)CCS1
InChIInChI=1S/C17H18N6OS2/c1-11-7-13(5-6-25-11)16(24)20-17-19-15(9-26-17)12-3-2-4-14(8-12)23-10-18-21-22-23/h2-4,8-11,13H,5-7H2,1H3,(H,19,20,24)
InChIKeyJHSRMUCXBQKWDP-UHFFFAOYSA-N
XLogP3.26
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.51
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-tert-butyl-4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazol-2-amine
CID 62942366
4-chloro-2,5-dimethyl-N-[4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazol-2-yl]furan-3-carboxamide
CID 47082768
4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazole-2-carbaldehyde
CID 62927731
ethyl 4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazole-2-carboxylate
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(2S,4S)-N-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120637089
N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-(tetrazol-1-yl)benzamide
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CID 30876196
N-[3-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide
CID 43702817
N-(4-phenyl-1,3-thiazol-2-yl)cyclopentanecarboxamide
CID 2163654
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazol-2-yl]thiane-4-carboxamide?
The IUPAC name of 2-methyl-N-[4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazol-2-yl]thiane-4-carboxamide (CID 167837597) is 2-methyl-N-[4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazol-2-yl]thiane-4-carboxamide.
What is the SMILES notation for 2-methyl-N-[4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazol-2-yl]thiane-4-carboxamide?
The canonical SMILES for 2-methyl-N-[4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazol-2-yl]thiane-4-carboxamide is CC1CC(C(=O)Nc2nc(-c3cccc(-n4cnnn4)c3)cs2)CCS1.
What is the InChIKey of 2-methyl-N-[4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazol-2-yl]thiane-4-carboxamide?
The InChIKey is JHSRMUCXBQKWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6OS2/c1-11-7-13(5-6-25-11)16(24)20-17-19-15(9-26-17)12-3-2-4-14(8-12)23-10-18-21-22-23/h2-4,8-11,13H,5-7H2,1H3,(H,19,20,24).
What are the key properties of 2-methyl-N-[4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazol-2-yl]thiane-4-carboxamide?
2-methyl-N-[4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazol-2-yl]thiane-4-carboxamide has a molecular weight of 386.51 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazol-2-yl]thiane-4-carboxamide is sourced from PubChem (CID 167837597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).