N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylcyclohexanecarboxamide

C17H27N3O2S — CID 813320

IUPACN-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylcyclohexanecarboxamide
SMILESCc1nc(NC(=O)CN(C(=O)C2CCCCC2)C(C)C)sc1C
InChIInChI=1S/C17H27N3O2S/c1-11(2)20(16(22)14-8-6-5-7-9-14)10-15(21)19-17-18-12(3)13(4)23-17/h11,14H,5-10H2,1-4H3,(H,18,19,21)
InChIKeyDUFUFTKPOKMYPJ-UHFFFAOYSA-N
MW337.49 g/mol
LogP3.52
Rot. Bonds5

About N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylcyclohexanecarboxamide

N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylcyclohexanecarboxamide (PubChem CID 813320) has the molecular formula C17H27N3O2S and a molecular weight of 337.49 g/mol. Its IUPAC name is N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylcyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylcyclohexanecarboxamide
PubChem CID813320
Molecular FormulaC17H27N3O2S
Molecular Weight337.49 g/mol
Exact Mass337.18
IUPAC NameN-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylcyclohexanecarboxamide
SMILESCc1nc(NC(=O)CN(C(=O)C2CCCCC2)C(C)C)sc1C
InChIInChI=1S/C17H27N3O2S/c1-11(2)20(16(22)14-8-6-5-7-9-14)10-15(21)19-17-18-12(3)13(4)23-17/h11,14H,5-10H2,1-4H3,(H,18,19,21)
InChIKeyDUFUFTKPOKMYPJ-UHFFFAOYSA-N
XLogP3.52
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylcyclohexanecarboxamide?
The IUPAC name of N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylcyclohexanecarboxamide (CID 813320) is N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylcyclohexanecarboxamide.
What is the SMILES notation for N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylcyclohexanecarboxamide?
The canonical SMILES for N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylcyclohexanecarboxamide is Cc1nc(NC(=O)CN(C(=O)C2CCCCC2)C(C)C)sc1C.
What is the InChIKey of N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylcyclohexanecarboxamide?
The InChIKey is DUFUFTKPOKMYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2S/c1-11(2)20(16(22)14-8-6-5-7-9-14)10-15(21)19-17-18-12(3)13(4)23-17/h11,14H,5-10H2,1-4H3,(H,18,19,21).
What are the key properties of N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylcyclohexanecarboxamide?
N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylcyclohexanecarboxamide has a molecular weight of 337.49 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylcyclohexanecarboxamide is sourced from PubChem (CID 813320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).