N-[(1S)-1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide

C17H16N6O2S — CID 97145627

IUPACN-[(1S)-1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)N[C@@H](C)c3cn4ncsc4n3)[nH]n2)c1
InChIInChI=1S/C17H16N6O2S/c1-10(15-8-23-17(20-15)26-9-18-23)19-16(24)14-7-13(21-22-14)11-4-3-5-12(6-11)25-2/h3-10H,1-2H3,(H,19,24)(H,21,22)/t10-/m0/s1
InChIKeyWJBKFUBORXHVRU-JTQLQIEISA-N
MW368.42 g/mol
LogP2.68
Rot. Bonds5

About N-[(1S)-1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide

N-[(1S)-1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 97145627) has the molecular formula C17H16N6O2S and a molecular weight of 368.42 g/mol. Its IUPAC name is N-[(1S)-1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
PubChem CID97145627
Molecular FormulaC17H16N6O2S
Molecular Weight368.42 g/mol
Exact Mass368.11
IUPAC NameN-[(1S)-1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)N[C@@H](C)c3cn4ncsc4n3)[nH]n2)c1
InChIInChI=1S/C17H16N6O2S/c1-10(15-8-23-17(20-15)26-9-18-23)19-16(24)14-7-13(21-22-14)11-4-3-5-12(6-11)25-2/h3-10H,1-2H3,(H,19,24)(H,21,22)/t10-/m0/s1
InChIKeyWJBKFUBORXHVRU-JTQLQIEISA-N
XLogP2.68
TPSA97.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-(4-chlorophenyl)-N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-1H-pyrazole-5-carboxamide
CID 91838300
N-[1-(1-ethylpyrazol-3-yl)ethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19509893
N-[(1R)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 97134548
N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19509735
3-(3-methoxyphenyl)-N-(1-pyrazol-1-ylpropan-2-yl)-1H-pyrazole-5-carboxamide
CID 70750427
N-[(1R)-1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 97146678
N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 97154885
N-[1-(2,5-dimethoxyphenyl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 45355171
methyl 2-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate
CID 71710125
N-(2,3-dihydro-1-benzofuran-3-yl)-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 126802489
N-[1-(1-adamantyl)propyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19509714
N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 97134220

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(1S)-1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide (CID 97145627) is N-[(1S)-1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(1S)-1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(1S)-1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide is COc1cccc(-c2cc(C(=O)N[C@@H](C)c3cn4ncsc4n3)[nH]n2)c1.
What is the InChIKey of N-[(1S)-1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is WJBKFUBORXHVRU-JTQLQIEISA-N. The full InChI is InChI=1S/C17H16N6O2S/c1-10(15-8-23-17(20-15)26-9-18-23)19-16(24)14-7-13(21-22-14)11-4-3-5-12(6-11)25-2/h3-10H,1-2H3,(H,19,24)(H,21,22)/t10-/m0/s1.
What are the key properties of N-[(1S)-1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide?
N-[(1S)-1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 368.42 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 97145627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).