(3aR,6aR)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide

C16H25N3OS — CID 124568089

IUPAC(3aR,6aR)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
SMILESCC(C)c1nc(CCNC(=O)N2C[C@@H]3CCC[C@H]3C2)cs1
InChIInChI=1S/C16H25N3OS/c1-11(2)15-18-14(10-21-15)6-7-17-16(20)19-8-12-4-3-5-13(12)9-19/h10-13H,3-9H2,1-2H3,(H,17,20)/t12-,13-/m0/s1
InChIKeyODUKICXZJMVABJ-STQMWFEESA-N
MW307.46 g/mol
LogP3.25
Rot. Bonds4

About (3aR,6aR)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide

(3aR,6aR)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide (PubChem CID 124568089) has the molecular formula C16H25N3OS and a molecular weight of 307.46 g/mol. Its IUPAC name is (3aR,6aR)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide.

Molecular Properties

Compound Name(3aR,6aR)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
PubChem CID124568089
Molecular FormulaC16H25N3OS
Molecular Weight307.46 g/mol
Exact Mass307.17
IUPAC Name(3aR,6aR)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
SMILESCC(C)c1nc(CCNC(=O)N2C[C@@H]3CCC[C@H]3C2)cs1
InChIInChI=1S/C16H25N3OS/c1-11(2)15-18-14(10-21-15)6-7-17-16(20)19-8-12-4-3-5-13(12)9-19/h10-13H,3-9H2,1-2H3,(H,17,20)/t12-,13-/m0/s1
InChIKeyODUKICXZJMVABJ-STQMWFEESA-N
XLogP3.25
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3aR,6aR)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide with MolForge

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Related Compounds

2-methyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]thiomorpholine-4-carboxamide
CID 71933418
4-(1-ethylpyrazol-4-yl)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]piperidine-1-carboxamide
CID 126766675
2-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 115560786
1-[(3-hydroxycyclohexyl)methyl]-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]urea
CID 111505745
(3R)-1-cyclopentyl-5-oxo-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide
CID 97119490
(2R)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]piperidine-2-carboxamide;dihydrochloride
CID 119869426
cis-(1R,2S)-2-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125132098
2-amino-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide;dihydrochloride
CID 119869470
2-amino-2-(oxan-4-yl)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 120799376
4-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122000069
N'-methyl-4-(oxolane-2-carbonyl)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]piperazine-1-carboximidamide
CID 111300397
N'-methyl-3-phenyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-1-carboximidamide
CID 111723011

Frequently Asked Questions

What is the IUPAC name of (3aR,6aR)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
The IUPAC name of (3aR,6aR)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide (CID 124568089) is (3aR,6aR)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide.
What is the SMILES notation for (3aR,6aR)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
The canonical SMILES for (3aR,6aR)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide is CC(C)c1nc(CCNC(=O)N2C[C@@H]3CCC[C@H]3C2)cs1.
What is the InChIKey of (3aR,6aR)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
The InChIKey is ODUKICXZJMVABJ-STQMWFEESA-N. The full InChI is InChI=1S/C16H25N3OS/c1-11(2)15-18-14(10-21-15)6-7-17-16(20)19-8-12-4-3-5-13(12)9-19/h10-13H,3-9H2,1-2H3,(H,17,20)/t12-,13-/m0/s1.
What are the key properties of (3aR,6aR)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
(3aR,6aR)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide has a molecular weight of 307.46 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aR)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide is sourced from PubChem (CID 124568089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).