1-(adamantane-1-carbonyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide

C21H29N3O2S — CID 18084581

IUPAC1-(adamantane-1-carbonyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
SMILESCc1nc(NC(=O)C2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)sc1C
InChIInChI=1S/C21H29N3O2S/c1-12-13(2)27-20(22-12)23-18(25)17-4-3-5-24(17)19(26)21-9-14-6-15(10-21)8-16(7-14)11-21/h14-17H,3-11H2,1-2H3,(H,22,23,25)
InChIKeyBYYDSPONTHCPIG-UHFFFAOYSA-N
MW387.55 g/mol
LogP3.91
Rot. Bonds3

About 1-(adamantane-1-carbonyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide

1-(adamantane-1-carbonyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide (PubChem CID 18084581) has the molecular formula C21H29N3O2S and a molecular weight of 387.55 g/mol. Its IUPAC name is 1-(adamantane-1-carbonyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(adamantane-1-carbonyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
PubChem CID18084581
Molecular FormulaC21H29N3O2S
Molecular Weight387.55 g/mol
Exact Mass387.20
IUPAC Name1-(adamantane-1-carbonyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
SMILESCc1nc(NC(=O)C2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)sc1C
InChIInChI=1S/C21H29N3O2S/c1-12-13(2)27-20(22-12)23-18(25)17-4-3-5-24(17)19(26)21-9-14-6-15(10-21)8-16(7-14)11-21/h14-17H,3-11H2,1-2H3,(H,22,23,25)
InChIKeyBYYDSPONTHCPIG-UHFFFAOYSA-N
XLogP3.91
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.55
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(adamantane-1-carbonyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidine-2-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 1-(adamantane-1-carbonyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(adamantane-1-carbonyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide (CID 18084581) is 1-(adamantane-1-carbonyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(adamantane-1-carbonyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(adamantane-1-carbonyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide is Cc1nc(NC(=O)C2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)sc1C.
What is the InChIKey of 1-(adamantane-1-carbonyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is BYYDSPONTHCPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2S/c1-12-13(2)27-20(22-12)23-18(25)17-4-3-5-24(17)19(26)21-9-14-6-15(10-21)8-16(7-14)11-21/h14-17H,3-11H2,1-2H3,(H,22,23,25).
What are the key properties of 1-(adamantane-1-carbonyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
1-(adamantane-1-carbonyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 387.55 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(adamantane-1-carbonyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 18084581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).