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

C16H23N3O2S — CID 813355

IUPACN-cyclopropyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclohexanecarboxamide
SMILESCc1cnc(NC(=O)CN(C(=O)C2CCCCC2)C2CC2)s1
InChIInChI=1S/C16H23N3O2S/c1-11-9-17-16(22-11)18-14(20)10-19(13-7-8-13)15(21)12-5-3-2-4-6-12/h9,12-13H,2-8,10H2,1H3,(H,17,18,20)
InChIKeyNFGZLEPHEBMRQC-UHFFFAOYSA-N
MW321.45 g/mol
LogP2.96
Rot. Bonds5

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

N-cyclopropyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclohexanecarboxamide (PubChem CID 813355) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is N-cyclopropyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclohexanecarboxamide
PubChem CID813355
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC NameN-cyclopropyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclohexanecarboxamide
SMILESCc1cnc(NC(=O)CN(C(=O)C2CCCCC2)C2CC2)s1
InChIInChI=1S/C16H23N3O2S/c1-11-9-17-16(22-11)18-14(20)10-19(13-7-8-13)15(21)12-5-3-2-4-6-12/h9,12-13H,2-8,10H2,1H3,(H,17,18,20)
InChIKeyNFGZLEPHEBMRQC-UHFFFAOYSA-N
XLogP2.96
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]butanamide
CID 4052980
N-(2-methoxyethyl)-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclohexanecarboxamide
CID 42768442
N-butyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopentanecarboxamide
CID 42663885
N-(cyclopropylmethyl)-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclobutanecarboxamide
CID 814353
2-[cyclopropyl(methylsulfonyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 42664152
2-[cyclopropyl-(2-phenoxyacetyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 4052985
ethyl 2-[[cyclopropyl-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]carbamoyl]amino]acetate
CID 42770878
4-[cyclohexyl-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 87412592
N-(5-methyl-1,3-thiazol-2-yl)cyclopropanecarboxamide
CID 3432578
N-cyclohexyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]cyclohexanecarboxamide
CID 42768746
1-cyclohexyl-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 16729615
3-(cyclohexylcarbamoylamino)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 16622526

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclohexanecarboxamide?
The IUPAC name of N-cyclopropyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclohexanecarboxamide (CID 813355) is N-cyclopropyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-cyclopropyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclohexanecarboxamide?
The canonical SMILES for N-cyclopropyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclohexanecarboxamide is Cc1cnc(NC(=O)CN(C(=O)C2CCCCC2)C2CC2)s1.
What is the InChIKey of N-cyclopropyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclohexanecarboxamide?
The InChIKey is NFGZLEPHEBMRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-11-9-17-16(22-11)18-14(20)10-19(13-7-8-13)15(21)12-5-3-2-4-6-12/h9,12-13H,2-8,10H2,1H3,(H,17,18,20).
What are the key properties of N-cyclopropyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclohexanecarboxamide?
N-cyclopropyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclohexanecarboxamide has a molecular weight of 321.45 g/mol, XLogP of 2.96, 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-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclohexanecarboxamide is sourced from PubChem (CID 813355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).