1-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-N,2-N,4-trimethylpentane-1,2-diamine

C15H29N3S — CID 43207976

IUPAC1-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-N,2-N,4-trimethylpentane-1,2-diamine
SMILESCc1nc(C(C)NCC(CC(C)C)N(C)C)c(C)s1
InChIInChI=1S/C15H29N3S/c1-10(2)8-14(18(6)7)9-16-11(3)15-12(4)19-13(5)17-15/h10-11,14,16H,8-9H2,1-7H3
InChIKeyURLWLKRUDNOZAU-UHFFFAOYSA-N
MW283.49 g/mol
LogP3.39
Rot. Bonds7

About 1-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-N,2-N,4-trimethylpentane-1,2-diamine

1-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-N,2-N,4-trimethylpentane-1,2-diamine (PubChem CID 43207976) has the molecular formula C15H29N3S and a molecular weight of 283.49 g/mol. Its IUPAC name is 1-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-N,2-N,4-trimethylpentane-1,2-diamine.

Molecular Properties

Compound Name1-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-N,2-N,4-trimethylpentane-1,2-diamine
PubChem CID43207976
Molecular FormulaC15H29N3S
Molecular Weight283.49 g/mol
Exact Mass283.21
IUPAC Name1-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-N,2-N,4-trimethylpentane-1,2-diamine
SMILESCc1nc(C(C)NCC(CC(C)C)N(C)C)c(C)s1
InChIInChI=1S/C15H29N3S/c1-10(2)8-14(18(6)7)9-16-11(3)15-12(4)19-13(5)17-15/h10-11,14,16H,8-9H2,1-7H3
InChIKeyURLWLKRUDNOZAU-UHFFFAOYSA-N
XLogP3.39
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.49
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-N,2-N,4-trimethylpentane-1,2-diamine with MolForge

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Related Compounds

1-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
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1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-ethylethanamine
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N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N'-ethyl-N'-methylethane-1,2-diamine
CID 62635360
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2,2-diethoxyethanamine
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2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-N,N-dimethylacetamide
CID 43310810
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-phenylpropan-1-amine
CID 43204647
N'-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]propane-1,3-diamine
CID 60888751
N-(cyclopropylmethyl)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine
CID 43200773
(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-methylethanamine
CID 26722635
N'-cyclopentyl-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N'-methylethane-1,2-diamine
CID 63315017
1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(2-methylcyclopropyl)methyl]ethanamine
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Frequently Asked Questions

What is the IUPAC name of 1-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-N,2-N,4-trimethylpentane-1,2-diamine?
The IUPAC name of 1-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-N,2-N,4-trimethylpentane-1,2-diamine (CID 43207976) is 1-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-N,2-N,4-trimethylpentane-1,2-diamine.
What is the SMILES notation for 1-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-N,2-N,4-trimethylpentane-1,2-diamine?
The canonical SMILES for 1-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-N,2-N,4-trimethylpentane-1,2-diamine is Cc1nc(C(C)NCC(CC(C)C)N(C)C)c(C)s1.
What is the InChIKey of 1-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-N,2-N,4-trimethylpentane-1,2-diamine?
The InChIKey is URLWLKRUDNOZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3S/c1-10(2)8-14(18(6)7)9-16-11(3)15-12(4)19-13(5)17-15/h10-11,14,16H,8-9H2,1-7H3.
What are the key properties of 1-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-N,2-N,4-trimethylpentane-1,2-diamine?
1-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-N,2-N,4-trimethylpentane-1,2-diamine has a molecular weight of 283.49 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-N,2-N,4-trimethylpentane-1,2-diamine is sourced from PubChem (CID 43207976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).