N-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]-1,3-thiazolidine-4-carboxamide

C16H22N4OS — CID 110796144

IUPACN-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]-1,3-thiazolidine-4-carboxamide
SMILESCC(C)c1nc2ccc(CCNC(=O)C3CSCN3)cc2[nH]1
InChIInChI=1S/C16H22N4OS/c1-10(2)15-19-12-4-3-11(7-13(12)20-15)5-6-17-16(21)14-8-22-9-18-14/h3-4,7,10,14,18H,5-6,8-9H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyRLJKVYLIOJNYQT-UHFFFAOYSA-N
MW318.45 g/mol
LogP2.01
Rot. Bonds5

About N-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]-1,3-thiazolidine-4-carboxamide

N-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 110796144) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is N-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]-1,3-thiazolidine-4-carboxamide
PubChem CID110796144
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC NameN-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]-1,3-thiazolidine-4-carboxamide
SMILESCC(C)c1nc2ccc(CCNC(=O)C3CSCN3)cc2[nH]1
InChIInChI=1S/C16H22N4OS/c1-10(2)15-19-12-4-3-11(7-13(12)20-15)5-6-17-16(21)14-8-22-9-18-14/h3-4,7,10,14,18H,5-6,8-9H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyRLJKVYLIOJNYQT-UHFFFAOYSA-N
XLogP2.01
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]-1,3-thiazolidine-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]cyclopropanecarboxamide
CID 110791569
N-[2-(4-methoxy-3-propan-2-ylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 110795275
N-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]pentanamide
CID 110791570
2-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethylamino]acetic acid
CID 112519291
2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethanol
CID 82491889
methyl 3-(2-propan-2-yl-3H-benzimidazol-5-yl)propanoate
CID 99991101
N-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]pyridine-2-carboxamide
CID 110796141
N-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]ethanesulfonamide
CID 110791583
N-(2-acetamidoethyl)-2-(2-propan-2-yl-3H-benzimidazol-5-yl)acetamide
CID 110772843
N-[2-(3-tert-butyl-4-methoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 110795242
N-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 110796288
N-(2-methoxyethyl)-2-(2-propan-2-yl-3H-benzimidazol-5-yl)acetamide
CID 110772819

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]-1,3-thiazolidine-4-carboxamide (CID 110796144) is N-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]-1,3-thiazolidine-4-carboxamide is CC(C)c1nc2ccc(CCNC(=O)C3CSCN3)cc2[nH]1.
What is the InChIKey of N-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is RLJKVYLIOJNYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4OS/c1-10(2)15-19-12-4-3-11(7-13(12)20-15)5-6-17-16(21)14-8-22-9-18-14/h3-4,7,10,14,18H,5-6,8-9H2,1-2H3,(H,17,21)(H,19,20).
What are the key properties of N-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]-1,3-thiazolidine-4-carboxamide?
N-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 318.45 g/mol, XLogP of 2.01, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 110796144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).