N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide

C21H29N3OS — CID 16563691

IUPACN-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCCC(C)(C)C1CCC(NC(=O)Cc2csc(-c3ccccn3)n2)CC1
InChIInChI=1S/C21H29N3OS/c1-4-21(2,3)15-8-10-16(11-9-15)23-19(25)13-17-14-26-20(24-17)18-7-5-6-12-22-18/h5-7,12,14-16H,4,8-11,13H2,1-3H3,(H,23,25)
InChIKeyOLLXDFPNNSMJAE-UHFFFAOYSA-N
MW371.55 g/mol
LogP4.86
Rot. Bonds6

About N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide

N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 16563691) has the molecular formula C21H29N3OS and a molecular weight of 371.55 g/mol. Its IUPAC name is N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
PubChem CID16563691
Molecular FormulaC21H29N3OS
Molecular Weight371.55 g/mol
Exact Mass371.20
IUPAC NameN-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCCC(C)(C)C1CCC(NC(=O)Cc2csc(-c3ccccn3)n2)CC1
InChIInChI=1S/C21H29N3OS/c1-4-21(2,3)15-8-10-16(11-9-15)23-19(25)13-17-14-26-20(24-17)18-7-5-6-12-22-18/h5-7,12,14-16H,4,8-11,13H2,1-3H3,(H,23,25)
InChIKeyOLLXDFPNNSMJAE-UHFFFAOYSA-N
XLogP4.86
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.55
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide (CID 16563691) is N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide is CCC(C)(C)C1CCC(NC(=O)Cc2csc(-c3ccccn3)n2)CC1.
What is the InChIKey of N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is OLLXDFPNNSMJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3OS/c1-4-21(2,3)15-8-10-16(11-9-15)23-19(25)13-17-14-26-20(24-17)18-7-5-6-12-22-18/h5-7,12,14-16H,4,8-11,13H2,1-3H3,(H,23,25).
What are the key properties of N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 371.55 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 16563691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).