tert-butyl N-[3-(2-acetamido-1,3-thiazol-5-yl)butyl]-N-methylcarbamate

C15H25N3O3S — CID 142440517

IUPACtert-butyl N-[3-(2-acetamido-1,3-thiazol-5-yl)butyl]-N-methylcarbamate
SMILESCC(=O)Nc1ncc(C(C)CCN(C)C(=O)OC(C)(C)C)s1
InChIInChI=1S/C15H25N3O3S/c1-10(12-9-16-13(22-12)17-11(2)19)7-8-18(6)14(20)21-15(3,4)5/h9-10H,7-8H2,1-6H3,(H,16,17,19)
InChIKeyKFOCAOOCTFMQOO-UHFFFAOYSA-N
MW327.45 g/mol
LogP3.46
Rot. Bonds5

About tert-butyl N-[3-(2-acetamido-1,3-thiazol-5-yl)butyl]-N-methylcarbamate

tert-butyl N-[3-(2-acetamido-1,3-thiazol-5-yl)butyl]-N-methylcarbamate (PubChem CID 142440517) has the molecular formula C15H25N3O3S and a molecular weight of 327.45 g/mol. Its IUPAC name is tert-butyl N-[3-(2-acetamido-1,3-thiazol-5-yl)butyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(2-acetamido-1,3-thiazol-5-yl)butyl]-N-methylcarbamate
PubChem CID142440517
Molecular FormulaC15H25N3O3S
Molecular Weight327.45 g/mol
Exact Mass327.16
IUPAC Nametert-butyl N-[3-(2-acetamido-1,3-thiazol-5-yl)butyl]-N-methylcarbamate
SMILESCC(=O)Nc1ncc(C(C)CCN(C)C(=O)OC(C)(C)C)s1
InChIInChI=1S/C15H25N3O3S/c1-10(12-9-16-13(22-12)17-11(2)19)7-8-18(6)14(20)21-15(3,4)5/h9-10H,7-8H2,1-6H3,(H,16,17,19)
InChIKeyKFOCAOOCTFMQOO-UHFFFAOYSA-N
XLogP3.46
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-methyl-N-(3-methylbutyl)carbamate;propane
CID 163221568
tert-butyl N-[5-(1,2-dihydroxy-4-sulfanylbutyl)-1,3-thiazol-2-yl]carbamate
CID 171875046
tert-butyl N-methyl-N-[2-[1-(1-methylimidazol-2-yl)ethylamino]ethyl]carbamate
CID 103913871
tert-butyl 2-[(2-acetamido-1,3-thiazol-5-yl)sulfanyl]acetate
CID 5329661
3-[methyl-[(5-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]amino]propanoic acid
CID 122091531
tert-butyl N-[5-(3-bromo-1,2-dihydroxypropyl)-1,3-thiazol-2-yl]carbamate
CID 171860936
2-[(2-hydroxy-3-methylbutanoyl)amino]-N-[5-(6-methylhept-5-en-2-yl)-1,3-thiazol-2-yl]pentanamide
CID 72649623
tert-butyl N-(3-hydroxy-5-methylhexyl)-N-methylcarbamate
CID 91303071
tert-butyl N-(2-fluoropropyl)-N-methylcarbamate
CID 123325523
tert-butyl N-(3-amino-4,4-dimethylpentyl)-N-methylcarbamate
CID 155943485
tert-butyl N-methyl-N-(3-propylhexyl)carbamate
CID 139566665
tert-butyl N-(4-hydroxypentyl)-N-methylcarbamate
CID 23122203

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(2-acetamido-1,3-thiazol-5-yl)butyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[3-(2-acetamido-1,3-thiazol-5-yl)butyl]-N-methylcarbamate (CID 142440517) is tert-butyl N-[3-(2-acetamido-1,3-thiazol-5-yl)butyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[3-(2-acetamido-1,3-thiazol-5-yl)butyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[3-(2-acetamido-1,3-thiazol-5-yl)butyl]-N-methylcarbamate is CC(=O)Nc1ncc(C(C)CCN(C)C(=O)OC(C)(C)C)s1.
What is the InChIKey of tert-butyl N-[3-(2-acetamido-1,3-thiazol-5-yl)butyl]-N-methylcarbamate?
The InChIKey is KFOCAOOCTFMQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3S/c1-10(12-9-16-13(22-12)17-11(2)19)7-8-18(6)14(20)21-15(3,4)5/h9-10H,7-8H2,1-6H3,(H,16,17,19).
What are the key properties of tert-butyl N-[3-(2-acetamido-1,3-thiazol-5-yl)butyl]-N-methylcarbamate?
tert-butyl N-[3-(2-acetamido-1,3-thiazol-5-yl)butyl]-N-methylcarbamate has a molecular weight of 327.45 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(2-acetamido-1,3-thiazol-5-yl)butyl]-N-methylcarbamate is sourced from PubChem (CID 142440517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).