N,3-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide

C19H18N4OS2 — CID 51126802

IUPACN,3-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nc(CN(C)C(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)cs1
InChIInChI=1S/C19H18N4OS2/c1-12-16-9-17(18(24)22(3)10-14-11-25-13(2)20-14)26-19(16)23(21-12)15-7-5-4-6-8-15/h4-9,11H,10H2,1-3H3
InChIKeyGFOWJSLLTLEJBG-UHFFFAOYSA-N
MW382.51 g/mol
LogP4.43
Rot. Bonds4

About N,3-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide

N,3-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 51126802) has the molecular formula C19H18N4OS2 and a molecular weight of 382.51 g/mol. Its IUPAC name is N,3-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID51126802
Molecular FormulaC19H18N4OS2
Molecular Weight382.51 g/mol
Exact Mass382.09
IUPAC NameN,3-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nc(CN(C)C(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)cs1
InChIInChI=1S/C19H18N4OS2/c1-12-16-9-17(18(24)22(3)10-14-11-25-13(2)20-14)26-19(16)23(21-12)15-7-5-4-6-8-15/h4-9,11H,10H2,1-3H3
InChIKeyGFOWJSLLTLEJBG-UHFFFAOYSA-N
XLogP4.43
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-hydroxyethyl)-N,3-dimethyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 110878059
N-benzyl-1-(4-fluorophenyl)-N,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 27665838
N-(3-amino-4-methylpentyl)-N,3-dimethyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 119658366
N-(2-hydroxyethyl)-3-methyl-1-phenyl-N-propylthieno[3,2-d]pyrazole-5-carboxamide
CID 110878541
N-benzyl-N-(2-methoxyethyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 27826735
N-benzyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 3189661
3-methyl-N'-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)-1-phenylthieno[3,2-d]pyrazole-5-carbohydrazide
CID 3226614
N-[3-(dimethylamino)propyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 78781187
3-methyl-N-[7-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]heptyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 3134145
N-[4-[2-(4-chloroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-N-[3-(dimethylamino)propyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 3186572
[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxylate
CID 16527304
N-(2-amino-2-methylpropyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 119626981

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of N,3-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide (CID 51126802) is N,3-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for N,3-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for N,3-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide is Cc1nc(CN(C)C(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)cs1.
What is the InChIKey of N,3-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is GFOWJSLLTLEJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4OS2/c1-12-16-9-17(18(24)22(3)10-14-11-25-13(2)20-14)26-19(16)23(21-12)15-7-5-4-6-8-15/h4-9,11H,10H2,1-3H3.
What are the key properties of N,3-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
N,3-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 382.51 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 51126802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).