1-(4-methyl-1,3-thiazol-2-yl)-N-propylundecan-2-amine

C18H34N2S — CID 63416762

IUPAC1-(4-methyl-1,3-thiazol-2-yl)-N-propylundecan-2-amine
SMILESCCCCCCCCCC(Cc1nc(C)cs1)NCCC
InChIInChI=1S/C18H34N2S/c1-4-6-7-8-9-10-11-12-17(19-13-5-2)14-18-20-16(3)15-21-18/h15,17,19H,4-14H2,1-3H3
InChIKeyXVLMSNACGZUCHI-UHFFFAOYSA-N
MW310.55 g/mol
LogP5.50
Rot. Bonds13

About 1-(4-methyl-1,3-thiazol-2-yl)-N-propylundecan-2-amine

1-(4-methyl-1,3-thiazol-2-yl)-N-propylundecan-2-amine (PubChem CID 63416762) has the molecular formula C18H34N2S and a molecular weight of 310.55 g/mol. Its IUPAC name is 1-(4-methyl-1,3-thiazol-2-yl)-N-propylundecan-2-amine.

Molecular Properties

Compound Name1-(4-methyl-1,3-thiazol-2-yl)-N-propylundecan-2-amine
PubChem CID63416762
Molecular FormulaC18H34N2S
Molecular Weight310.55 g/mol
Exact Mass310.24
IUPAC Name1-(4-methyl-1,3-thiazol-2-yl)-N-propylundecan-2-amine
SMILESCCCCCCCCCC(Cc1nc(C)cs1)NCCC
InChIInChI=1S/C18H34N2S/c1-4-6-7-8-9-10-11-12-17(19-13-5-2)14-18-20-16(3)15-21-18/h15,17,19H,4-14H2,1-3H3
InChIKeyXVLMSNACGZUCHI-UHFFFAOYSA-N
XLogP5.50
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.55
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methyl-1,3-thiazol-2-yl)-N-propylhex-5-yn-2-amine
CID 63644001
N-propyl-1-(1,3-thiazol-2-yl)undecan-2-amine
CID 105015117
N-propyl-1-(1,3-thiazol-2-yl)decan-2-amine
CID 105014908
1-(4-methyl-1,3-thiazol-2-yl)heptan-2-amine
CID 62796871
1-(2-methyl-1,3-thiazol-4-yl)-N-propylheptan-2-amine
CID 55129851
1-(4-ethylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine
CID 62796548
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]heptan-3-amine
CID 63946760
4-methylidene-1-(4-methyl-1,3-thiazol-2-yl)-N-propylhexan-2-amine
CID 66038753
1-(furan-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine
CID 83176126
1-(3-bromothiophen-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine
CID 55120538
3-methyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propylbutan-2-amine
CID 62794828
1-(2-methyl-1,3-thiazol-4-yl)-N-propylhexan-2-amine
CID 62799003

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1,3-thiazol-2-yl)-N-propylundecan-2-amine?
The IUPAC name of 1-(4-methyl-1,3-thiazol-2-yl)-N-propylundecan-2-amine (CID 63416762) is 1-(4-methyl-1,3-thiazol-2-yl)-N-propylundecan-2-amine.
What is the SMILES notation for 1-(4-methyl-1,3-thiazol-2-yl)-N-propylundecan-2-amine?
The canonical SMILES for 1-(4-methyl-1,3-thiazol-2-yl)-N-propylundecan-2-amine is CCCCCCCCCC(Cc1nc(C)cs1)NCCC.
What is the InChIKey of 1-(4-methyl-1,3-thiazol-2-yl)-N-propylundecan-2-amine?
The InChIKey is XVLMSNACGZUCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2S/c1-4-6-7-8-9-10-11-12-17(19-13-5-2)14-18-20-16(3)15-21-18/h15,17,19H,4-14H2,1-3H3.
What are the key properties of 1-(4-methyl-1,3-thiazol-2-yl)-N-propylundecan-2-amine?
1-(4-methyl-1,3-thiazol-2-yl)-N-propylundecan-2-amine has a molecular weight of 310.55 g/mol, XLogP of 5.50, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1,3-thiazol-2-yl)-N-propylundecan-2-amine is sourced from PubChem (CID 63416762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).