tert-butyl N-[2-[(5-chloro-1,3-thiazol-2-yl)methylamino]-1-cyclopropylethyl]carbamate

C14H22ClN3O2S — CID 104879550

IUPACtert-butyl N-[2-[(5-chloro-1,3-thiazol-2-yl)methylamino]-1-cyclopropylethyl]carbamate
SMILESCC(C)(C)OC(=O)NC(CNCc1ncc(Cl)s1)C1CC1
InChIInChI=1S/C14H22ClN3O2S/c1-14(2,3)20-13(19)18-10(9-4-5-9)6-16-8-12-17-7-11(15)21-12/h7,9-10,16H,4-6,8H2,1-3H3,(H,18,19)
InChIKeyOUMNQIJVAOAPJM-UHFFFAOYSA-N
MW331.87 g/mol
LogP3.19
Rot. Bonds6

About tert-butyl N-[2-[(5-chloro-1,3-thiazol-2-yl)methylamino]-1-cyclopropylethyl]carbamate

tert-butyl N-[2-[(5-chloro-1,3-thiazol-2-yl)methylamino]-1-cyclopropylethyl]carbamate (PubChem CID 104879550) has the molecular formula C14H22ClN3O2S and a molecular weight of 331.87 g/mol. Its IUPAC name is tert-butyl N-[2-[(5-chloro-1,3-thiazol-2-yl)methylamino]-1-cyclopropylethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(5-chloro-1,3-thiazol-2-yl)methylamino]-1-cyclopropylethyl]carbamate
PubChem CID104879550
Molecular FormulaC14H22ClN3O2S
Molecular Weight331.87 g/mol
Exact Mass331.11
IUPAC Nametert-butyl N-[2-[(5-chloro-1,3-thiazol-2-yl)methylamino]-1-cyclopropylethyl]carbamate
SMILESCC(C)(C)OC(=O)NC(CNCc1ncc(Cl)s1)C1CC1
InChIInChI=1S/C14H22ClN3O2S/c1-14(2,3)20-13(19)18-10(9-4-5-9)6-16-8-12-17-7-11(15)21-12/h7,9-10,16H,4-6,8H2,1-3H3,(H,18,19)
InChIKeyOUMNQIJVAOAPJM-UHFFFAOYSA-N
XLogP3.19
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.87
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[1-cyclopropyl-2-[(3,5-dichlorophenyl)methylamino]ethyl]carbamate
CID 107243924
tert-butyl N-[2-[(4-bromo-5-chlorothiophen-2-yl)methylamino]-1-cyclopropylethyl]carbamate
CID 107244007
tert-butyl N-[1-cyclopropyl-2-(pyridin-2-ylmethylamino)ethyl]carbamate
CID 103872270
tert-butyl N-[1-[[(5-chloro-1,3-thiazol-2-yl)methylamino]methyl]cyclobutyl]carbamate
CID 104879622
tert-butyl N-[1-cyclopropyl-2-[(3-ethylimidazol-4-yl)methylamino]ethyl]carbamate
CID 107244046
tert-butyl N-[1-cyclopropyl-2-[(4-methoxyphenyl)methylamino]ethyl]carbamate
CID 103872184
tert-butyl N-[1-cyclopropyl-2-[(2-fluorophenyl)methylamino]ethyl]carbamate
CID 103872299
tert-butyl N-[1-cyclopropyl-2-(furan-2-ylmethylamino)ethyl]carbamate
CID 103872258
tert-butyl N-[(3R,4R)-3-[(5-chloro-1,3-thiazol-2-yl)methylamino]oxan-4-yl]carbamate
CID 167800652
tert-butyl N-[1-cyclopropyl-2-[(3-methoxy-3-methylbutyl)amino]ethyl]carbamate
CID 107244038
tert-butyl N-[1-cyclopropyl-2-[1-(1,3-thiazol-5-yl)ethylamino]ethyl]carbamate
CID 103905984
tert-butyl N-[1-cyclopropyl-2-[(1-propylpyrrol-3-yl)methylamino]ethyl]carbamate
CID 103527591

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(5-chloro-1,3-thiazol-2-yl)methylamino]-1-cyclopropylethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(5-chloro-1,3-thiazol-2-yl)methylamino]-1-cyclopropylethyl]carbamate (CID 104879550) is tert-butyl N-[2-[(5-chloro-1,3-thiazol-2-yl)methylamino]-1-cyclopropylethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(5-chloro-1,3-thiazol-2-yl)methylamino]-1-cyclopropylethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(5-chloro-1,3-thiazol-2-yl)methylamino]-1-cyclopropylethyl]carbamate is CC(C)(C)OC(=O)NC(CNCc1ncc(Cl)s1)C1CC1.
What is the InChIKey of tert-butyl N-[2-[(5-chloro-1,3-thiazol-2-yl)methylamino]-1-cyclopropylethyl]carbamate?
The InChIKey is OUMNQIJVAOAPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O2S/c1-14(2,3)20-13(19)18-10(9-4-5-9)6-16-8-12-17-7-11(15)21-12/h7,9-10,16H,4-6,8H2,1-3H3,(H,18,19).
What are the key properties of tert-butyl N-[2-[(5-chloro-1,3-thiazol-2-yl)methylamino]-1-cyclopropylethyl]carbamate?
tert-butyl N-[2-[(5-chloro-1,3-thiazol-2-yl)methylamino]-1-cyclopropylethyl]carbamate has a molecular weight of 331.87 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(5-chloro-1,3-thiazol-2-yl)methylamino]-1-cyclopropylethyl]carbamate is sourced from PubChem (CID 104879550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).