N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylcyclohexanecarboxamide

C16H25N3O2S — CID 813230

IUPACN-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylcyclohexanecarboxamide
SMILESCc1csc(NC(=O)CN(C(=O)C2CCCCC2)C(C)C)n1
InChIInChI=1S/C16H25N3O2S/c1-11(2)19(15(21)13-7-5-4-6-8-13)9-14(20)18-16-17-12(3)10-22-16/h10-11,13H,4-9H2,1-3H3,(H,17,18,20)
InChIKeyXMVTUGBOSASASH-UHFFFAOYSA-N
MW323.46 g/mol
LogP3.21
Rot. Bonds5

About N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylcyclohexanecarboxamide

N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylcyclohexanecarboxamide (PubChem CID 813230) has the molecular formula C16H25N3O2S and a molecular weight of 323.46 g/mol. Its IUPAC name is N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylcyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylcyclohexanecarboxamide
PubChem CID813230
Molecular FormulaC16H25N3O2S
Molecular Weight323.46 g/mol
Exact Mass323.17
IUPAC NameN-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylcyclohexanecarboxamide
SMILESCc1csc(NC(=O)CN(C(=O)C2CCCCC2)C(C)C)n1
InChIInChI=1S/C16H25N3O2S/c1-11(2)19(15(21)13-7-5-4-6-8-13)9-14(20)18-16-17-12(3)10-22-16/h10-11,13H,4-9H2,1-3H3,(H,17,18,20)
InChIKeyXMVTUGBOSASASH-UHFFFAOYSA-N
XLogP3.21
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylcyclohexanecarboxamide?
The IUPAC name of N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylcyclohexanecarboxamide (CID 813230) is N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylcyclohexanecarboxamide.
What is the SMILES notation for N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylcyclohexanecarboxamide?
The canonical SMILES for N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylcyclohexanecarboxamide is Cc1csc(NC(=O)CN(C(=O)C2CCCCC2)C(C)C)n1.
What is the InChIKey of N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylcyclohexanecarboxamide?
The InChIKey is XMVTUGBOSASASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2S/c1-11(2)19(15(21)13-7-5-4-6-8-13)9-14(20)18-16-17-12(3)10-22-16/h10-11,13H,4-9H2,1-3H3,(H,17,18,20).
What are the key properties of N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylcyclohexanecarboxamide?
N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylcyclohexanecarboxamide has a molecular weight of 323.46 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylcyclohexanecarboxamide is sourced from PubChem (CID 813230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).