4-(cyclopropylmethyl)-2-methyl-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]thieno[3,2-b]pyrrole-5-carboxamide

C18H17N5OS2 — CID 154876337

IUPAC4-(cyclopropylmethyl)-2-methyl-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]thieno[3,2-b]pyrrole-5-carboxamide
SMILESCc1cc2c(cc(C(=O)Nc3cn[nH]c3-c3nccs3)n2CC2CC2)s1
InChIInChI=1S/C18H17N5OS2/c1-10-6-13-15(26-10)7-14(23(13)9-11-2-3-11)17(24)21-12-8-20-22-16(12)18-19-4-5-25-18/h4-8,11H,2-3,9H2,1H3,(H,20,22)(H,21,24)
InChIKeyOFCGJPGBQOWCBK-UHFFFAOYSA-N
MW383.50 g/mol
LogP4.52
Rot. Bonds5

About 4-(cyclopropylmethyl)-2-methyl-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]thieno[3,2-b]pyrrole-5-carboxamide

4-(cyclopropylmethyl)-2-methyl-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]thieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 154876337) has the molecular formula C18H17N5OS2 and a molecular weight of 383.50 g/mol. Its IUPAC name is 4-(cyclopropylmethyl)-2-methyl-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]thieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name4-(cyclopropylmethyl)-2-methyl-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]thieno[3,2-b]pyrrole-5-carboxamide
PubChem CID154876337
Molecular FormulaC18H17N5OS2
Molecular Weight383.50 g/mol
Exact Mass383.09
IUPAC Name4-(cyclopropylmethyl)-2-methyl-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]thieno[3,2-b]pyrrole-5-carboxamide
SMILESCc1cc2c(cc(C(=O)Nc3cn[nH]c3-c3nccs3)n2CC2CC2)s1
InChIInChI=1S/C18H17N5OS2/c1-10-6-13-15(26-10)7-14(23(13)9-11-2-3-11)17(24)21-12-8-20-22-16(12)18-19-4-5-25-18/h4-8,11H,2-3,9H2,1H3,(H,20,22)(H,21,24)
InChIKeyOFCGJPGBQOWCBK-UHFFFAOYSA-N
XLogP4.52
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(cyclopropylmethyl)-2-methyl-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]thieno[3,2-b]pyrrole-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 4-(cyclopropylmethyl)-2-methyl-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]thieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 4-(cyclopropylmethyl)-2-methyl-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]thieno[3,2-b]pyrrole-5-carboxamide (CID 154876337) is 4-(cyclopropylmethyl)-2-methyl-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]thieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 4-(cyclopropylmethyl)-2-methyl-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]thieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 4-(cyclopropylmethyl)-2-methyl-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]thieno[3,2-b]pyrrole-5-carboxamide is Cc1cc2c(cc(C(=O)Nc3cn[nH]c3-c3nccs3)n2CC2CC2)s1.
What is the InChIKey of 4-(cyclopropylmethyl)-2-methyl-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]thieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is OFCGJPGBQOWCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5OS2/c1-10-6-13-15(26-10)7-14(23(13)9-11-2-3-11)17(24)21-12-8-20-22-16(12)18-19-4-5-25-18/h4-8,11H,2-3,9H2,1H3,(H,20,22)(H,21,24).
What are the key properties of 4-(cyclopropylmethyl)-2-methyl-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]thieno[3,2-b]pyrrole-5-carboxamide?
4-(cyclopropylmethyl)-2-methyl-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]thieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 383.50 g/mol, XLogP of 4.52, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethyl)-2-methyl-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]thieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 154876337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).