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

C28H29N5O2S2 — CID 3170735

IUPACN-[3-(dimethylamino)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCOc1ccc(-c2csc(N(CCCN(C)C)C(=O)c3cc4c(C)nn(-c5ccccc5)c4s3)n2)cc1
InChIInChI=1S/C28H29N5O2S2/c1-19-23-17-25(37-27(23)33(30-19)21-9-6-5-7-10-21)26(34)32(16-8-15-31(2)3)28-29-24(18-36-28)20-11-13-22(35-4)14-12-20/h5-7,9-14,17-18H,8,15-16H2,1-4H3
InChIKeyQPVXWWXMFVAZKP-UHFFFAOYSA-N
MW531.71 g/mol
LogP6.13
Rot. Bonds9

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

N-[3-(dimethylamino)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 3170735) has the molecular formula C28H29N5O2S2 and a molecular weight of 531.71 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID3170735
Molecular FormulaC28H29N5O2S2
Molecular Weight531.71 g/mol
Exact Mass531.18
IUPAC NameN-[3-(dimethylamino)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCOc1ccc(-c2csc(N(CCCN(C)C)C(=O)c3cc4c(C)nn(-c5ccccc5)c4s3)n2)cc1
InChIInChI=1S/C28H29N5O2S2/c1-19-23-17-25(37-27(23)33(30-19)21-9-6-5-7-10-21)26(34)32(16-8-15-31(2)3)28-29-24(18-36-28)20-11-13-22(35-4)14-12-20/h5-7,9-14,17-18H,8,15-16H2,1-4H3
InChIKeyQPVXWWXMFVAZKP-UHFFFAOYSA-N
XLogP6.13
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.71
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-[3-(dimethylamino)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide (CID 3170735) is N-[3-(dimethylamino)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide is COc1ccc(-c2csc(N(CCCN(C)C)C(=O)c3cc4c(C)nn(-c5ccccc5)c4s3)n2)cc1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is QPVXWWXMFVAZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O2S2/c1-19-23-17-25(37-27(23)33(30-19)21-9-6-5-7-10-21)26(34)32(16-8-15-31(2)3)28-29-24(18-36-28)20-11-13-22(35-4)14-12-20/h5-7,9-14,17-18H,8,15-16H2,1-4H3.
What are the key properties of N-[3-(dimethylamino)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
N-[3-(dimethylamino)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 531.71 g/mol, XLogP of 6.13, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 3170735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).