N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide

C13H16N8OS — CID 91778058

IUPACN-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide
SMILESCCC(NC(=O)c1cn[nH]c1-n1cnnn1)c1nc(C)c(C)s1
InChIInChI=1S/C13H16N8OS/c1-4-10(13-16-7(2)8(3)23-13)17-12(22)9-5-14-18-11(9)21-6-15-19-20-21/h5-6,10H,4H2,1-3H3,(H,14,18)(H,17,22)
InChIKeyMQXVORAGXLINSH-UHFFFAOYSA-N
MW332.39 g/mol
LogP1.34
Rot. Bonds5

About N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide

N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide (PubChem CID 91778058) has the molecular formula C13H16N8OS and a molecular weight of 332.39 g/mol. Its IUPAC name is N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide
PubChem CID91778058
Molecular FormulaC13H16N8OS
Molecular Weight332.39 g/mol
Exact Mass332.12
IUPAC NameN-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide
SMILESCCC(NC(=O)c1cn[nH]c1-n1cnnn1)c1nc(C)c(C)s1
InChIInChI=1S/C13H16N8OS/c1-4-10(13-16-7(2)8(3)23-13)17-12(22)9-5-14-18-11(9)21-6-15-19-20-21/h5-6,10H,4H2,1-3H3,(H,14,18)(H,17,22)
InChIKeyMQXVORAGXLINSH-UHFFFAOYSA-N
XLogP1.34
TPSA114.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-ethylpyrimidine-5-carboxamide
CID 72930807
N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-3-methylimidazole-4-carboxamide
CID 118775956
3-chloro-N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]pyridine-4-carboxamide
CID 125177974
N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-5-fluoropyridine-3-carboxamide
CID 118765250
N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 125161813
N-[(1R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-(methylamino)acetamide
CID 95509635
2-amino-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 118763339
N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1,3-benzodioxole-5-carboxamide
CID 91766476
N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 95226256
N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide
CID 91787581
N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176503974
N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 97154885

Frequently Asked Questions

What is the IUPAC name of N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide (CID 91778058) is N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide is CCC(NC(=O)c1cn[nH]c1-n1cnnn1)c1nc(C)c(C)s1.
What is the InChIKey of N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide?
The InChIKey is MQXVORAGXLINSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N8OS/c1-4-10(13-16-7(2)8(3)23-13)17-12(22)9-5-14-18-11(9)21-6-15-19-20-21/h5-6,10H,4H2,1-3H3,(H,14,18)(H,17,22).
What are the key properties of N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide?
N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide has a molecular weight of 332.39 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 91778058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).