2-methylpropyl N-[4-[2-(cycloheptylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate

C17H27N3O3S — CID 16884004

IUPAC2-methylpropyl N-[4-[2-(cycloheptylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate
SMILESCC(C)COC(=O)Nc1nc(CC(=O)NC2CCCCCC2)cs1
InChIInChI=1S/C17H27N3O3S/c1-12(2)10-23-17(22)20-16-19-14(11-24-16)9-15(21)18-13-7-5-3-4-6-8-13/h11-13H,3-10H2,1-2H3,(H,18,21)(H,19,20,22)
InChIKeyWDKWUZBZMAIZDK-UHFFFAOYSA-N
MW353.49 g/mol
LogP3.73
Rot. Bonds6

About 2-methylpropyl N-[4-[2-(cycloheptylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate

2-methylpropyl N-[4-[2-(cycloheptylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate (PubChem CID 16884004) has the molecular formula C17H27N3O3S and a molecular weight of 353.49 g/mol. Its IUPAC name is 2-methylpropyl N-[4-[2-(cycloheptylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate.

Molecular Properties

Compound Name2-methylpropyl N-[4-[2-(cycloheptylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate
PubChem CID16884004
Molecular FormulaC17H27N3O3S
Molecular Weight353.49 g/mol
Exact Mass353.18
IUPAC Name2-methylpropyl N-[4-[2-(cycloheptylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate
SMILESCC(C)COC(=O)Nc1nc(CC(=O)NC2CCCCCC2)cs1
InChIInChI=1S/C17H27N3O3S/c1-12(2)10-23-17(22)20-16-19-14(11-24-16)9-15(21)18-13-7-5-3-4-6-8-13/h11-13H,3-10H2,1-2H3,(H,18,21)(H,19,20,22)
InChIKeyWDKWUZBZMAIZDK-UHFFFAOYSA-N
XLogP3.73
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methylpropyl N-[4-[2-(2-methylpropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate
CID 16883996
N-[4-[2-(cycloheptylamino)-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 41228156
N-[4-[2-(cyclopentylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 18568227
2-methylpropyl N-[4-(2-anilino-2-oxoethyl)-1,3-thiazol-2-yl]carbamate
CID 16884027
2-methylpropyl N-[4-[2-(4-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate
CID 16884036
N-cycloheptyl-2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 18567701
2-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-(cyclohexylmethyl)acetamide
CID 20930030
N-[2-[[4-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-methyl-N-propan-2-ylbenzamide
CID 1029885
2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-cyclopropylacetamide
CID 82548102
ethyl 4-[2-[2-(cyclopentylcarbamoylamino)-1,3-thiazol-4-yl]acetyl]piperazine-1-carboxylate
CID 41211680
2-methylpropyl N-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate
CID 16884016
4-chloro-N-[2-[[4-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 1030947

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-[4-[2-(cycloheptylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate?
The IUPAC name of 2-methylpropyl N-[4-[2-(cycloheptylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate (CID 16884004) is 2-methylpropyl N-[4-[2-(cycloheptylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate.
What is the SMILES notation for 2-methylpropyl N-[4-[2-(cycloheptylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate?
The canonical SMILES for 2-methylpropyl N-[4-[2-(cycloheptylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate is CC(C)COC(=O)Nc1nc(CC(=O)NC2CCCCCC2)cs1.
What is the InChIKey of 2-methylpropyl N-[4-[2-(cycloheptylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate?
The InChIKey is WDKWUZBZMAIZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S/c1-12(2)10-23-17(22)20-16-19-14(11-24-16)9-15(21)18-13-7-5-3-4-6-8-13/h11-13H,3-10H2,1-2H3,(H,18,21)(H,19,20,22).
What are the key properties of 2-methylpropyl N-[4-[2-(cycloheptylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate?
2-methylpropyl N-[4-[2-(cycloheptylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate has a molecular weight of 353.49 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-[4-[2-(cycloheptylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 16884004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).