N-[3-fluoro-4-(1-propan-2-yltetrazol-5-yl)phenyl]-1,3-thiazole-4-carboxamide

C14H13FN6OS — CID 84600348

IUPACN-[3-fluoro-4-(1-propan-2-yltetrazol-5-yl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCC(C)n1nnnc1-c1ccc(NC(=O)c2cscn2)cc1F
InChIInChI=1S/C14H13FN6OS/c1-8(2)21-13(18-19-20-21)10-4-3-9(5-11(10)15)17-14(22)12-6-23-7-16-12/h3-8H,1-2H3,(H,17,22)
InChIKeyBRNLECMWBCQKFZ-UHFFFAOYSA-N
MW332.36 g/mol
LogP2.77
Rot. Bonds4

About N-[3-fluoro-4-(1-propan-2-yltetrazol-5-yl)phenyl]-1,3-thiazole-4-carboxamide

N-[3-fluoro-4-(1-propan-2-yltetrazol-5-yl)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 84600348) has the molecular formula C14H13FN6OS and a molecular weight of 332.36 g/mol. Its IUPAC name is N-[3-fluoro-4-(1-propan-2-yltetrazol-5-yl)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-4-(1-propan-2-yltetrazol-5-yl)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID84600348
Molecular FormulaC14H13FN6OS
Molecular Weight332.36 g/mol
Exact Mass332.09
IUPAC NameN-[3-fluoro-4-(1-propan-2-yltetrazol-5-yl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCC(C)n1nnnc1-c1ccc(NC(=O)c2cscn2)cc1F
InChIInChI=1S/C14H13FN6OS/c1-8(2)21-13(18-19-20-21)10-4-3-9(5-11(10)15)17-14(22)12-6-23-7-16-12/h3-8H,1-2H3,(H,17,22)
InChIKeyBRNLECMWBCQKFZ-UHFFFAOYSA-N
XLogP2.77
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[3-fluoro-4-(1-propan-2-yltetrazol-5-yl)phenyl]-3-(1H-pyrazol-4-yl)urea
CID 75454092
N-(3,4-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 62045147
4-[[3-fluoro-4-(1-propan-2-yltetrazol-5-yl)phenyl]carbamoylamino]-4-methylpentanoic acid
CID 122089353
N-(3-carbamothioyl-4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 63022696
N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 55142680
2-methylpropyl 4-(1,3-thiazole-4-carbonylamino)benzoate
CID 110437401
N-(3-amino-4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 63024254
N-(4-chloro-3-hydroxyphenyl)-1,3-thiazole-4-carboxamide
CID 64787879
N-[3-(dimethylcarbamoyl)-4-methylphenyl]-1,3-thiazole-4-carboxamide
CID 71975443
N-(2,5-difluoro-4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 103586232
N-[4-(dimethylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 55143046
N-(4-chloro-2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 62045477

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-(1-propan-2-yltetrazol-5-yl)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[3-fluoro-4-(1-propan-2-yltetrazol-5-yl)phenyl]-1,3-thiazole-4-carboxamide (CID 84600348) is N-[3-fluoro-4-(1-propan-2-yltetrazol-5-yl)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[3-fluoro-4-(1-propan-2-yltetrazol-5-yl)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[3-fluoro-4-(1-propan-2-yltetrazol-5-yl)phenyl]-1,3-thiazole-4-carboxamide is CC(C)n1nnnc1-c1ccc(NC(=O)c2cscn2)cc1F.
What is the InChIKey of N-[3-fluoro-4-(1-propan-2-yltetrazol-5-yl)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is BRNLECMWBCQKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN6OS/c1-8(2)21-13(18-19-20-21)10-4-3-9(5-11(10)15)17-14(22)12-6-23-7-16-12/h3-8H,1-2H3,(H,17,22).
What are the key properties of N-[3-fluoro-4-(1-propan-2-yltetrazol-5-yl)phenyl]-1,3-thiazole-4-carboxamide?
N-[3-fluoro-4-(1-propan-2-yltetrazol-5-yl)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 332.36 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-(1-propan-2-yltetrazol-5-yl)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 84600348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).