N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide

C17H18N4O2S3 — CID 19410140

IUPACN-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide
SMILESCOc1cccc(Cn2cc(NC(=O)c3c(SC)nsc3SC)cn2)c1
InChIInChI=1S/C17H18N4O2S3/c1-23-13-6-4-5-11(7-13)9-21-10-12(8-18-21)19-15(22)14-16(24-2)20-26-17(14)25-3/h4-8,10H,9H2,1-3H3,(H,19,22)
InChIKeyXACKEYKRGMNGSY-UHFFFAOYSA-N
MW406.56 g/mol
LogP4.09
Rot. Bonds7

About N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide

N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide (PubChem CID 19410140) has the molecular formula C17H18N4O2S3 and a molecular weight of 406.56 g/mol. Its IUPAC name is N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide
PubChem CID19410140
Molecular FormulaC17H18N4O2S3
Molecular Weight406.56 g/mol
Exact Mass406.06
IUPAC NameN-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide
SMILESCOc1cccc(Cn2cc(NC(=O)c3c(SC)nsc3SC)cn2)c1
InChIInChI=1S/C17H18N4O2S3/c1-23-13-6-4-5-11(7-13)9-21-10-12(8-18-21)19-15(22)14-16(24-2)20-26-17(14)25-3/h4-8,10H,9H2,1-3H3,(H,19,22)
InChIKeyXACKEYKRGMNGSY-UHFFFAOYSA-N
XLogP4.09
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.56
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(1-benzylpyrazol-4-yl)-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide
CID 19395810
N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]butanamide
CID 19410275
2-[[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]carbamoyl]benzoic acid
CID 35521452
2-methoxy-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]benzamide
CID 19410106
N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]pentanamide
CID 35521519
2-bromo-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]benzamide
CID 19410114
2-(4-methoxyphenyl)-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]acetamide
CID 35521443
2-[4-[[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid
CID 19500639
N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-3-(4-methylpyrazol-1-yl)propanamide
CID 19559692
3-amino-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide
CID 155212469
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-2,6-dimethoxybenzamide
CID 19336532
4-[[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]carbamoyl]-1-methylpyrazole-5-carboxylic acid
CID 19496247

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide?
The IUPAC name of N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide (CID 19410140) is N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide.
What is the SMILES notation for N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide?
The canonical SMILES for N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide is COc1cccc(Cn2cc(NC(=O)c3c(SC)nsc3SC)cn2)c1.
What is the InChIKey of N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide?
The InChIKey is XACKEYKRGMNGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S3/c1-23-13-6-4-5-11(7-13)9-21-10-12(8-18-21)19-15(22)14-16(24-2)20-26-17(14)25-3/h4-8,10H,9H2,1-3H3,(H,19,22).
What are the key properties of N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide?
N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide has a molecular weight of 406.56 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 19410140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).