N,N,4-trimethyl-2-[[2-phenyl-2-(tetrazol-1-yl)acetyl]amino]-1,3-thiazole-5-carboxamide

C16H17N7O2S — CID 163310144

IUPACN,N,4-trimethyl-2-[[2-phenyl-2-(tetrazol-1-yl)acetyl]amino]-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)C(c2ccccc2)n2cnnn2)sc1C(=O)N(C)C
InChIInChI=1S/C16H17N7O2S/c1-10-13(15(25)22(2)3)26-16(18-10)19-14(24)12(23-9-17-20-21-23)11-7-5-4-6-8-11/h4-9,12H,1-3H3,(H,18,19,24)
InChIKeySGCUQCLVLFDJRK-UHFFFAOYSA-N
MW371.43 g/mol
LogP1.37
Rot. Bonds5

About N,N,4-trimethyl-2-[[2-phenyl-2-(tetrazol-1-yl)acetyl]amino]-1,3-thiazole-5-carboxamide

N,N,4-trimethyl-2-[[2-phenyl-2-(tetrazol-1-yl)acetyl]amino]-1,3-thiazole-5-carboxamide (PubChem CID 163310144) has the molecular formula C16H17N7O2S and a molecular weight of 371.43 g/mol. Its IUPAC name is N,N,4-trimethyl-2-[[2-phenyl-2-(tetrazol-1-yl)acetyl]amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN,N,4-trimethyl-2-[[2-phenyl-2-(tetrazol-1-yl)acetyl]amino]-1,3-thiazole-5-carboxamide
PubChem CID163310144
Molecular FormulaC16H17N7O2S
Molecular Weight371.43 g/mol
Exact Mass371.12
IUPAC NameN,N,4-trimethyl-2-[[2-phenyl-2-(tetrazol-1-yl)acetyl]amino]-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)C(c2ccccc2)n2cnnn2)sc1C(=O)N(C)C
InChIInChI=1S/C16H17N7O2S/c1-10-13(15(25)22(2)3)26-16(18-10)19-14(24)12(23-9-17-20-21-23)11-7-5-4-6-8-11/h4-9,12H,1-3H3,(H,18,19,24)
InChIKeySGCUQCLVLFDJRK-UHFFFAOYSA-N
XLogP1.37
TPSA105.90 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-2-[[2-phenyl-2-(tetrazol-1-yl)acetyl]amino]-1,3-thiazole-5-carboxamide?
The IUPAC name of N,N,4-trimethyl-2-[[2-phenyl-2-(tetrazol-1-yl)acetyl]amino]-1,3-thiazole-5-carboxamide (CID 163310144) is N,N,4-trimethyl-2-[[2-phenyl-2-(tetrazol-1-yl)acetyl]amino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N,N,4-trimethyl-2-[[2-phenyl-2-(tetrazol-1-yl)acetyl]amino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N,N,4-trimethyl-2-[[2-phenyl-2-(tetrazol-1-yl)acetyl]amino]-1,3-thiazole-5-carboxamide is Cc1nc(NC(=O)C(c2ccccc2)n2cnnn2)sc1C(=O)N(C)C.
What is the InChIKey of N,N,4-trimethyl-2-[[2-phenyl-2-(tetrazol-1-yl)acetyl]amino]-1,3-thiazole-5-carboxamide?
The InChIKey is SGCUQCLVLFDJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7O2S/c1-10-13(15(25)22(2)3)26-16(18-10)19-14(24)12(23-9-17-20-21-23)11-7-5-4-6-8-11/h4-9,12H,1-3H3,(H,18,19,24).
What are the key properties of N,N,4-trimethyl-2-[[2-phenyl-2-(tetrazol-1-yl)acetyl]amino]-1,3-thiazole-5-carboxamide?
N,N,4-trimethyl-2-[[2-phenyl-2-(tetrazol-1-yl)acetyl]amino]-1,3-thiazole-5-carboxamide has a molecular weight of 371.43 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-2-[[2-phenyl-2-(tetrazol-1-yl)acetyl]amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 163310144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).