N-cyclopropyl-2-(6-piperidin-1-yl-1,2-benzoxazol-3-yl)-1,3-thiazole-5-carboxamide

C19H20N4O2S — CID 97446624

IUPACN-cyclopropyl-2-(6-piperidin-1-yl-1,2-benzoxazol-3-yl)-1,3-thiazole-5-carboxamide
SMILESO=C(NC1CC1)c1cnc(-c2noc3cc(N4CCCCC4)ccc23)s1
InChIInChI=1S/C19H20N4O2S/c24-18(21-12-4-5-12)16-11-20-19(26-16)17-14-7-6-13(10-15(14)25-22-17)23-8-2-1-3-9-23/h6-7,10-12H,1-5,8-9H2,(H,21,24)
InChIKeyATVXKEKWZFKVFE-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.83
Rot. Bonds4

About N-cyclopropyl-2-(6-piperidin-1-yl-1,2-benzoxazol-3-yl)-1,3-thiazole-5-carboxamide

N-cyclopropyl-2-(6-piperidin-1-yl-1,2-benzoxazol-3-yl)-1,3-thiazole-5-carboxamide (PubChem CID 97446624) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-cyclopropyl-2-(6-piperidin-1-yl-1,2-benzoxazol-3-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(6-piperidin-1-yl-1,2-benzoxazol-3-yl)-1,3-thiazole-5-carboxamide
PubChem CID97446624
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC NameN-cyclopropyl-2-(6-piperidin-1-yl-1,2-benzoxazol-3-yl)-1,3-thiazole-5-carboxamide
SMILESO=C(NC1CC1)c1cnc(-c2noc3cc(N4CCCCC4)ccc23)s1
InChIInChI=1S/C19H20N4O2S/c24-18(21-12-4-5-12)16-11-20-19(26-16)17-14-7-6-13(10-15(14)25-22-17)23-8-2-1-3-9-23/h6-7,10-12H,1-5,8-9H2,(H,21,24)
InChIKeyATVXKEKWZFKVFE-UHFFFAOYSA-N
XLogP3.83
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-cyclopropyl-2-(6-piperidin-1-yl-1,2-benzoxazol-3-yl)-1,3-thiazole-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-cyclopropyl-2-(6-piperidin-1-yl-1,2-benzoxazol-3-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-cyclopropyl-2-(6-piperidin-1-yl-1,2-benzoxazol-3-yl)-1,3-thiazole-5-carboxamide (CID 97446624) is N-cyclopropyl-2-(6-piperidin-1-yl-1,2-benzoxazol-3-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-(6-piperidin-1-yl-1,2-benzoxazol-3-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-cyclopropyl-2-(6-piperidin-1-yl-1,2-benzoxazol-3-yl)-1,3-thiazole-5-carboxamide is O=C(NC1CC1)c1cnc(-c2noc3cc(N4CCCCC4)ccc23)s1.
What is the InChIKey of N-cyclopropyl-2-(6-piperidin-1-yl-1,2-benzoxazol-3-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is ATVXKEKWZFKVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c24-18(21-12-4-5-12)16-11-20-19(26-16)17-14-7-6-13(10-15(14)25-22-17)23-8-2-1-3-9-23/h6-7,10-12H,1-5,8-9H2,(H,21,24).
What are the key properties of N-cyclopropyl-2-(6-piperidin-1-yl-1,2-benzoxazol-3-yl)-1,3-thiazole-5-carboxamide?
N-cyclopropyl-2-(6-piperidin-1-yl-1,2-benzoxazol-3-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 368.46 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(6-piperidin-1-yl-1,2-benzoxazol-3-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 97446624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).