(1R)-N-[[4-[(R)-(2,2-dimethylpropanoylamino)-(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]cyclohex-3-ene-1-carboxamide

About (1R)-N-[[4-[(R)-(2,2-dimethylpropanoylamino)-(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]cyclohex-3-ene-1-carboxamide

(1R)-N-[[4-[(R)-(2,2-dimethylpropanoylamino)-(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]cyclohex-3-ene-1-carboxamide (PubChem CID 98077240) has the molecular formula C23H35N3O2S and a molecular weight of 417.62 g/mol. Its IUPAC name is (1R)-N-[[4-[(R)-(2,2-dimethylpropanoylamino)-(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name	(1R)-N-[[4-[(R)-(2,2-dimethylpropanoylamino)-(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]cyclohex-3-ene-1-carboxamide
PubChem CID	98077240
Molecular Formula	C23H35N3O2S
Molecular Weight	417.62 g/mol
Exact Mass	417.24
IUPAC Name	(1R)-N-[[4-[(R)-(2,2-dimethylpropanoylamino)-(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]cyclohex-3-ene-1-carboxamide
SMILES	CC(C)(C)C(=O)N[C@@H](c1nccs1)C1CCC(CNC(=O)[C@H]2CC=CCC2)CC1
InChI	InChI=1S/C23H35N3O2S/c1-23(2,3)22(28)26-19(21-24-13-14-29-21)17-11-9-16(10-12-17)15-25-20(27)18-7-5-4-6-8-18/h4-5,13-14,16-19H,6-12,15H2,1-3H3,(H,25,27)(H,26,28)/t16?,17?,18-,19+/m0/s1
InChIKey	ZTIVXWUJYHWWEH-WZOJCFFYSA-N
XLogP	4.63
TPSA	71.09 Å²
H-Bond Donors	2
H-Bond Acceptors	4
Rotatable Bonds	6
Heavy Atoms	29
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.62
LogP ≤ 5	4.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[[4-[(R)-(2,2-dimethylpropanoylamino)-(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]cyclohex-3-ene-1-carboxamide?

The IUPAC name of (1R)-N-[[4-[(R)-(2,2-dimethylpropanoylamino)-(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]cyclohex-3-ene-1-carboxamide (CID 98077240) is (1R)-N-[[4-[(R)-(2,2-dimethylpropanoylamino)-(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]cyclohex-3-ene-1-carboxamide.

What is the SMILES notation for (1R)-N-[[4-[(R)-(2,2-dimethylpropanoylamino)-(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]cyclohex-3-ene-1-carboxamide?

The canonical SMILES for (1R)-N-[[4-[(R)-(2,2-dimethylpropanoylamino)-(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]cyclohex-3-ene-1-carboxamide is CC(C)(C)C(=O)N[C@@H](c1nccs1)C1CCC(CNC(=O)[C@H]2CC=CCC2)CC1.

What is the InChIKey of (1R)-N-[[4-[(R)-(2,2-dimethylpropanoylamino)-(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]cyclohex-3-ene-1-carboxamide?

The InChIKey is ZTIVXWUJYHWWEH-WZOJCFFYSA-N. The full InChI is InChI=1S/C23H35N3O2S/c1-23(2,3)22(28)26-19(21-24-13-14-29-21)17-11-9-16(10-12-17)15-25-20(27)18-7-5-4-6-8-18/h4-5,13-14,16-19H,6-12,15H2,1-3H3,(H,25,27)(H,26,28)/t16?,17?,18-,19+/m0/s1.

What are the key properties of (1R)-N-[[4-[(R)-(2,2-dimethylpropanoylamino)-(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]cyclohex-3-ene-1-carboxamide?

(1R)-N-[[4-[(R)-(2,2-dimethylpropanoylamino)-(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 417.62 g/mol, XLogP of 4.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (1R)-N-[[4-[(R)-(2,2-dimethylpropanoylamino)-(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 98077240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).