tert-butyl N-[3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]propyl]-N-methylcarbamate

C16H29N3O2S — CID 103830765

IUPACtert-butyl N-[3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]propyl]-N-methylcarbamate
SMILESCc1nc(C(C)NCCCN(C)C(=O)OC(C)(C)C)c(C)s1
InChIInChI=1S/C16H29N3O2S/c1-11(14-12(2)22-13(3)18-14)17-9-8-10-19(7)15(20)21-16(4,5)6/h11,17H,8-10H2,1-7H3
InChIKeyYYMRCQXKTNTPFL-UHFFFAOYSA-N
MW327.49 g/mol
LogP3.67
Rot. Bonds6

About tert-butyl N-[3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]propyl]-N-methylcarbamate

tert-butyl N-[3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]propyl]-N-methylcarbamate (PubChem CID 103830765) has the molecular formula C16H29N3O2S and a molecular weight of 327.49 g/mol. Its IUPAC name is tert-butyl N-[3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]propyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]propyl]-N-methylcarbamate
PubChem CID103830765
Molecular FormulaC16H29N3O2S
Molecular Weight327.49 g/mol
Exact Mass327.20
IUPAC Nametert-butyl N-[3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]propyl]-N-methylcarbamate
SMILESCc1nc(C(C)NCCCN(C)C(=O)OC(C)(C)C)c(C)s1
InChIInChI=1S/C16H29N3O2S/c1-11(14-12(2)22-13(3)18-14)17-9-8-10-19(7)15(20)21-16(4,5)6/h11,17H,8-10H2,1-7H3
InChIKeyYYMRCQXKTNTPFL-UHFFFAOYSA-N
XLogP3.67
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.49
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-methyl-N-[3-(propan-2-ylamino)propyl]carbamate
CID 86663469
tert-butyl N-[3-[1-(furan-2-yl)ethylamino]propyl]-N-methylcarbamate
CID 103781251
tert-butyl N-[3-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]propyl]-N-methylcarbamate
CID 73056972
tert-butyl N-methyl-N-[4-(propan-2-ylamino)butyl]carbamate
CID 58244816
tert-butyl N-[3-[1-(2-chlorophenyl)ethylamino]propyl]-N-methylcarbamate
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tert-butyl N-methyl-N-[3-(pentan-2-ylamino)propyl]carbamate
CID 103781231
methyl 3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]propanoate
CID 43139664
2-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propylamino]butanoic acid
CID 107242134
tert-butyl N-methyl-N-[3-(1-pyridin-3-ylethylamino)propyl]carbamate
CID 103894812
tert-butyl N-[3-[(1-methoxy-3-methylbutan-2-yl)amino]propyl]-N-methylcarbamate
CID 103781260
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N'-ethyl-N'-methylethane-1,2-diamine
CID 62635360
3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-2,2-dimethylpropanamide
CID 113354496

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]propyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]propyl]-N-methylcarbamate (CID 103830765) is tert-butyl N-[3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]propyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]propyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]propyl]-N-methylcarbamate is Cc1nc(C(C)NCCCN(C)C(=O)OC(C)(C)C)c(C)s1.
What is the InChIKey of tert-butyl N-[3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]propyl]-N-methylcarbamate?
The InChIKey is YYMRCQXKTNTPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2S/c1-11(14-12(2)22-13(3)18-14)17-9-8-10-19(7)15(20)21-16(4,5)6/h11,17H,8-10H2,1-7H3.
What are the key properties of tert-butyl N-[3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]propyl]-N-methylcarbamate?
tert-butyl N-[3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]propyl]-N-methylcarbamate has a molecular weight of 327.49 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]propyl]-N-methylcarbamate is sourced from PubChem (CID 103830765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).