N-[2-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-2-oxoethyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide

C18H18N4O2S2 — CID 167751626

IUPACN-[2-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-2-oxoethyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(C)C)sc1C(=O)CNC(=O)c1cnc(-c2cccnc2)s1
InChIInChI=1S/C18H18N4O2S2/c1-10(2)17-22-11(3)15(26-17)13(23)8-20-16(24)14-9-21-18(25-14)12-5-4-6-19-7-12/h4-7,9-10H,8H2,1-3H3,(H,20,24)
InChIKeyUGOYSSPCFWLXQJ-UHFFFAOYSA-N
MW386.50 g/mol
LogP3.71
Rot. Bonds6

About N-[2-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-2-oxoethyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide

N-[2-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-2-oxoethyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide (PubChem CID 167751626) has the molecular formula C18H18N4O2S2 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-[2-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-2-oxoethyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-2-oxoethyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
PubChem CID167751626
Molecular FormulaC18H18N4O2S2
Molecular Weight386.50 g/mol
Exact Mass386.09
IUPAC NameN-[2-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-2-oxoethyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(C)C)sc1C(=O)CNC(=O)c1cnc(-c2cccnc2)s1
InChIInChI=1S/C18H18N4O2S2/c1-10(2)17-22-11(3)15(26-17)13(23)8-20-16(24)14-9-21-18(25-14)12-5-4-6-19-7-12/h4-7,9-10H,8H2,1-3H3,(H,20,24)
InChIKeyUGOYSSPCFWLXQJ-UHFFFAOYSA-N
XLogP3.71
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-2-oxoethyl]-2-pyridin-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-[2-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-2-oxoethyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-2-oxoethyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide (CID 167751626) is N-[2-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-2-oxoethyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-2-oxoethyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-2-oxoethyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide is Cc1nc(C(C)C)sc1C(=O)CNC(=O)c1cnc(-c2cccnc2)s1.
What is the InChIKey of N-[2-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-2-oxoethyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide?
The InChIKey is UGOYSSPCFWLXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S2/c1-10(2)17-22-11(3)15(26-17)13(23)8-20-16(24)14-9-21-18(25-14)12-5-4-6-19-7-12/h4-7,9-10H,8H2,1-3H3,(H,20,24).
What are the key properties of N-[2-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-2-oxoethyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide?
N-[2-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-2-oxoethyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-2-oxoethyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 167751626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).