N-[3-(dimethylamino)propyl]-3-methyl-1-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride

C27H28ClN5OS2 — CID 44522334

IUPACN-[3-(dimethylamino)propyl]-3-methyl-1-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
SMILESCc1nn(-c2ccccc2)c2sc(C(=O)N(CCCN(C)C)c3nc(-c4ccccc4)cs3)cc12.Cl
InChIInChI=1S/C27H27N5OS2.ClH/c1-19-22-17-24(35-26(22)32(29-19)21-13-8-5-9-14-21)25(33)31(16-10-15-30(2)3)27-28-23(18-34-27)20-11-6-4-7-12-20;/h4-9,11-14,17-18H,10,15-16H2,1-3H3;1H
InChIKeyIAHUDRYXKGBNLT-UHFFFAOYSA-N
MW538.14 g/mol
LogP6.54
Rot. Bonds8

About N-[3-(dimethylamino)propyl]-3-methyl-1-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride

N-[3-(dimethylamino)propyl]-3-methyl-1-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride (PubChem CID 44522334) has the molecular formula C27H28ClN5OS2 and a molecular weight of 538.14 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-3-methyl-1-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-3-methyl-1-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
PubChem CID44522334
Molecular FormulaC27H28ClN5OS2
Molecular Weight538.14 g/mol
Exact Mass537.14
IUPAC NameN-[3-(dimethylamino)propyl]-3-methyl-1-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
SMILESCc1nn(-c2ccccc2)c2sc(C(=O)N(CCCN(C)C)c3nc(-c4ccccc4)cs3)cc12.Cl
InChIInChI=1S/C27H27N5OS2.ClH/c1-19-22-17-24(35-26(22)32(29-19)21-13-8-5-9-14-21)25(33)31(16-10-15-30(2)3)27-28-23(18-34-27)20-11-6-4-7-12-20;/h4-9,11-14,17-18H,10,15-16H2,1-3H3;1H
InChIKeyIAHUDRYXKGBNLT-UHFFFAOYSA-N
XLogP6.54
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.14
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(2-chlorophenyl)methyl]-3-methyl-N-(4-methyl-2-thiazolyl)-5-thieno[2,3-c]pyrazolecarboxamide
CID 2082451
3-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1-phenylthieno[2,3-c]pyrazole-5-carboxamide
CID 2102506
(4-Benzothiazol-2-yl-piperazin-1-yl)-(4-benzyl-4H-thieno[3,2-b]pyrrol-5-yl)-methanone
CID 3225147
3-methyl-1-(2-methylpropyl)-N-[4-(pyridin-2-yl)-1,3-thiazol-2-yl]-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 8849767
N-[3-(dimethylamino)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 44522019
3-methyl-N-[4-methyl-5-(phenylcarbamoyl)-1,3-thiazol-2-yl]-1-phenylthieno[2,3-c]pyrazole-5-carboxamide
CID 1468101
1-cyclohexyl-3-methyl-N-[6-(2-oxoimidazolidin-1-yl)-3-pyridinyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 59824338
1-[(2-chlorophenyl)methyl]-3-methyl-N-(1,3-thiazol-2-yl)thieno[3,2-d]pyrazole-5-carboxamide
CID 2124745
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 2331433
1,3-diphenyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazole-5-carboxamide
CID 2463063
1-[(4-fluorophenyl)methyl]-3-methyl-N-(1,3-thiazol-2-yl)thieno[3,2-d]pyrazole-5-carboxamide
CID 2518728
1-benzyl-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 3554945

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-3-methyl-1-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride?
The IUPAC name of N-[3-(dimethylamino)propyl]-3-methyl-1-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride (CID 44522334) is N-[3-(dimethylamino)propyl]-3-methyl-1-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-3-methyl-1-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(dimethylamino)propyl]-3-methyl-1-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride is Cc1nn(-c2ccccc2)c2sc(C(=O)N(CCCN(C)C)c3nc(-c4ccccc4)cs3)cc12.Cl.
What is the InChIKey of N-[3-(dimethylamino)propyl]-3-methyl-1-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride?
The InChIKey is IAHUDRYXKGBNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5OS2.ClH/c1-19-22-17-24(35-26(22)32(29-19)21-13-8-5-9-14-21)25(33)31(16-10-15-30(2)3)27-28-23(18-34-27)20-11-6-4-7-12-20;/h4-9,11-14,17-18H,10,15-16H2,1-3H3;1H.
What are the key properties of N-[3-(dimethylamino)propyl]-3-methyl-1-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride?
N-[3-(dimethylamino)propyl]-3-methyl-1-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride has a molecular weight of 538.14 g/mol, XLogP of 6.54, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-3-methyl-1-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 44522334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).