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

C17H25N3O2S — CID 813327

IUPACN-cyclopropyl-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclohexanecarboxamide
SMILESCc1nc(NC(=O)CN(C(=O)C2CCCCC2)C2CC2)sc1C
InChIInChI=1S/C17H25N3O2S/c1-11-12(2)23-17(18-11)19-15(21)10-20(14-8-9-14)16(22)13-6-4-3-5-7-13/h13-14H,3-10H2,1-2H3,(H,18,19,21)
InChIKeyVICSYRDCJJJNQP-UHFFFAOYSA-N
MW335.47 g/mol
LogP3.27
Rot. Bonds5

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

N-cyclopropyl-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclohexanecarboxamide (PubChem CID 813327) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is N-cyclopropyl-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclohexanecarboxamide
PubChem CID813327
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC NameN-cyclopropyl-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclohexanecarboxamide
SMILESCc1nc(NC(=O)CN(C(=O)C2CCCCC2)C2CC2)sc1C
InChIInChI=1S/C17H25N3O2S/c1-11-12(2)23-17(18-11)19-15(21)10-20(14-8-9-14)16(22)13-6-4-3-5-7-13/h13-14H,3-10H2,1-2H3,(H,18,19,21)
InChIKeyVICSYRDCJJJNQP-UHFFFAOYSA-N
XLogP3.27
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclohexanecarboxamide?
The IUPAC name of N-cyclopropyl-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclohexanecarboxamide (CID 813327) is N-cyclopropyl-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-cyclopropyl-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclohexanecarboxamide?
The canonical SMILES for N-cyclopropyl-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclohexanecarboxamide is Cc1nc(NC(=O)CN(C(=O)C2CCCCC2)C2CC2)sc1C.
What is the InChIKey of N-cyclopropyl-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclohexanecarboxamide?
The InChIKey is VICSYRDCJJJNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S/c1-11-12(2)23-17(18-11)19-15(21)10-20(14-8-9-14)16(22)13-6-4-3-5-7-13/h13-14H,3-10H2,1-2H3,(H,18,19,21).
What are the key properties of N-cyclopropyl-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclohexanecarboxamide?
N-cyclopropyl-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclohexanecarboxamide has a molecular weight of 335.47 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclohexanecarboxamide is sourced from PubChem (CID 813327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).