N-methyl-2-methylsulfanyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]-1,3-thiazole-4-carboxamide

C14H14N6OS2 — CID 91771867

IUPACN-methyl-2-methylsulfanyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]-1,3-thiazole-4-carboxamide
SMILESCSc1nc(C(=O)N(C)Cc2cccc(-c3nn[nH]n3)c2)cs1
InChIInChI=1S/C14H14N6OS2/c1-20(13(21)11-8-23-14(15-11)22-2)7-9-4-3-5-10(6-9)12-16-18-19-17-12/h3-6,8H,7H2,1-2H3,(H,16,17,18,19)
InChIKeyHKSCSJJQCVYHCB-UHFFFAOYSA-N
MW346.44 g/mol
LogP2.32
Rot. Bonds5

About N-methyl-2-methylsulfanyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]-1,3-thiazole-4-carboxamide

N-methyl-2-methylsulfanyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 91771867) has the molecular formula C14H14N6OS2 and a molecular weight of 346.44 g/mol. Its IUPAC name is N-methyl-2-methylsulfanyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-2-methylsulfanyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]-1,3-thiazole-4-carboxamide
PubChem CID91771867
Molecular FormulaC14H14N6OS2
Molecular Weight346.44 g/mol
Exact Mass346.07
IUPAC NameN-methyl-2-methylsulfanyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]-1,3-thiazole-4-carboxamide
SMILESCSc1nc(C(=O)N(C)Cc2cccc(-c3nn[nH]n3)c2)cs1
InChIInChI=1S/C14H14N6OS2/c1-20(13(21)11-8-23-14(15-11)22-2)7-9-4-3-5-10(6-9)12-16-18-19-17-12/h3-6,8H,7H2,1-2H3,(H,16,17,18,19)
InChIKeyHKSCSJJQCVYHCB-UHFFFAOYSA-N
XLogP2.32
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-methylsulfanyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-methyl-2-methylsulfanyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]-1,3-thiazole-4-carboxamide (CID 91771867) is N-methyl-2-methylsulfanyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-methyl-2-methylsulfanyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-methyl-2-methylsulfanyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]-1,3-thiazole-4-carboxamide is CSc1nc(C(=O)N(C)Cc2cccc(-c3nn[nH]n3)c2)cs1.
What is the InChIKey of N-methyl-2-methylsulfanyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is HKSCSJJQCVYHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6OS2/c1-20(13(21)11-8-23-14(15-11)22-2)7-9-4-3-5-10(6-9)12-16-18-19-17-12/h3-6,8H,7H2,1-2H3,(H,16,17,18,19).
What are the key properties of N-methyl-2-methylsulfanyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]-1,3-thiazole-4-carboxamide?
N-methyl-2-methylsulfanyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 346.44 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-methylsulfanyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 91771867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).