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

C14H23N3O3S — CID 16883996

IUPAC2-methylpropyl N-[4-[2-(2-methylpropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate
SMILESCC(C)CNC(=O)Cc1csc(NC(=O)OCC(C)C)n1
InChIInChI=1S/C14H23N3O3S/c1-9(2)6-15-12(18)5-11-8-21-13(16-11)17-14(19)20-7-10(3)4/h8-10H,5-7H2,1-4H3,(H,15,18)(H,16,17,19)
InChIKeyXBLZCTKWIHHHPC-UHFFFAOYSA-N
MW313.42 g/mol
LogP2.66
Rot. Bonds7

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

2-methylpropyl N-[4-[2-(2-methylpropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate (PubChem CID 16883996) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 2-methylpropyl N-[4-[2-(2-methylpropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate.

Molecular Properties

Compound Name2-methylpropyl N-[4-[2-(2-methylpropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate
PubChem CID16883996
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name2-methylpropyl N-[4-[2-(2-methylpropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate
SMILESCC(C)CNC(=O)Cc1csc(NC(=O)OCC(C)C)n1
InChIInChI=1S/C14H23N3O3S/c1-9(2)6-15-12(18)5-11-8-21-13(16-11)17-14(19)20-7-10(3)4/h8-10H,5-7H2,1-4H3,(H,15,18)(H,16,17,19)
InChIKeyXBLZCTKWIHHHPC-UHFFFAOYSA-N
XLogP2.66
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methylpropyl N-[4-(2-anilino-2-oxoethyl)-1,3-thiazol-2-yl]carbamate
CID 16884027
2-methylpropyl N-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate
CID 16884016
2-methylpropyl N-[4-[2-(cycloheptylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate
CID 16884004
2-methylpropyl N-[4-[2-(4-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate
CID 16884036
N-[4-[2-(2-methylpropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide
CID 121032600
6-amino-N-[4-[2-(2-methylpropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]hexanamide
CID 11609548
(E)-N-[4-[2-(2-methylpropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-3-phenylprop-2-enamide
CID 41229516
N-[4-[2-[(2-amino-2-methylpropyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide;dihydrochloride
CID 119627196
ethyl N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]carbamate
CID 16883950
2-methylpropyl N-[4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate
CID 16884025
(2E)-2-methoxyimino-2-[2-(2-methylpropoxycarbonylamino)-1,3-thiazol-4-yl]acetic acid
CID 22827749
N-(2-methylpropyl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide
CID 30942320

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-[4-[2-(2-methylpropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate?
The IUPAC name of 2-methylpropyl N-[4-[2-(2-methylpropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate (CID 16883996) is 2-methylpropyl N-[4-[2-(2-methylpropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate.
What is the SMILES notation for 2-methylpropyl N-[4-[2-(2-methylpropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate?
The canonical SMILES for 2-methylpropyl N-[4-[2-(2-methylpropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate is CC(C)CNC(=O)Cc1csc(NC(=O)OCC(C)C)n1.
What is the InChIKey of 2-methylpropyl N-[4-[2-(2-methylpropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate?
The InChIKey is XBLZCTKWIHHHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-9(2)6-15-12(18)5-11-8-21-13(16-11)17-14(19)20-7-10(3)4/h8-10H,5-7H2,1-4H3,(H,15,18)(H,16,17,19).
What are the key properties of 2-methylpropyl N-[4-[2-(2-methylpropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate?
2-methylpropyl N-[4-[2-(2-methylpropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate has a molecular weight of 313.42 g/mol, XLogP of 2.66, 7 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-(2-methylpropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 16883996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).