(1R,2R,4R)-N-(4-methyl-1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide

C12H16N2OS — CID 98277438

IUPAC(1R,2R,4R)-N-(4-methyl-1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCc1csc(NC(=O)[C@@H]2C[C@@H]3CC[C@@H]2C3)n1
InChIInChI=1S/C12H16N2OS/c1-7-6-16-12(13-7)14-11(15)10-5-8-2-3-9(10)4-8/h6,8-10H,2-5H2,1H3,(H,13,14,15)/t8-,9-,10-/m1/s1
InChIKeyTWKOKBQQEGAVOJ-OPRDCNLKSA-N
MW236.34 g/mol
LogP2.83
Rot. Bonds2

About (1R,2R,4R)-N-(4-methyl-1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide

(1R,2R,4R)-N-(4-methyl-1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 98277438) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is (1R,2R,4R)-N-(4-methyl-1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name(1R,2R,4R)-N-(4-methyl-1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID98277438
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name(1R,2R,4R)-N-(4-methyl-1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCc1csc(NC(=O)[C@@H]2C[C@@H]3CC[C@@H]2C3)n1
InChIInChI=1S/C12H16N2OS/c1-7-6-16-12(13-7)14-11(15)10-5-8-2-3-9(10)4-8/h6,8-10H,2-5H2,1H3,(H,13,14,15)/t8-,9-,10-/m1/s1
InChIKeyTWKOKBQQEGAVOJ-OPRDCNLKSA-N
XLogP2.83
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R,2R,4R)-N-(4-methyl-1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-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

Related Compounds

(1S,2R,4S)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]bicyclo[2.2.1]heptane-2-carboxamide
CID 7102759
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]bicyclo[2.2.1]heptane-2-carboxamide
CID 51261910
(1R,2S,4R)-N-(4,6-dimethyl-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 98278428
trans-(1S,3S)-1-N,3-N-bis(4-methyl-1,3-thiazol-2-yl)cyclohexane-1,3-dicarboxamide
CID 52526965
(1R,2S,4S)-N-(3,5-dimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 11905183
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]bicyclo[2.2.1]heptane-2-carboxamide
CID 51324227
N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 5006386
3-amino-N-(4-methyl-1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119673379
(1R,2S,4S)-N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 11914236
ethane;N-(4-methyl-1,3-thiazol-2-yl)cyclohexanecarboxamide
CID 143608697
9-amino-N-(4-methyl-1,3-thiazol-2-yl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120984385
(1S,2S,4R)-N-(2,4,6-trimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 98142401

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4R)-N-(4-methyl-1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of (1R,2R,4R)-N-(4-methyl-1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide (CID 98277438) is (1R,2R,4R)-N-(4-methyl-1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for (1R,2R,4R)-N-(4-methyl-1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for (1R,2R,4R)-N-(4-methyl-1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide is Cc1csc(NC(=O)[C@@H]2C[C@@H]3CC[C@@H]2C3)n1.
What is the InChIKey of (1R,2R,4R)-N-(4-methyl-1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is TWKOKBQQEGAVOJ-OPRDCNLKSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-7-6-16-12(13-7)14-11(15)10-5-8-2-3-9(10)4-8/h6,8-10H,2-5H2,1H3,(H,13,14,15)/t8-,9-,10-/m1/s1.
What are the key properties of (1R,2R,4R)-N-(4-methyl-1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide?
(1R,2R,4R)-N-(4-methyl-1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 236.34 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4R)-N-(4-methyl-1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 98277438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).