N-[(2-cyclopropyl-4-ethyl-1,3-thiazol-5-yl)methyl]butan-1-amine

C13H22N2S — CID 82429453

IUPACN-[(2-cyclopropyl-4-ethyl-1,3-thiazol-5-yl)methyl]butan-1-amine
SMILESCCCCNCc1sc(C2CC2)nc1CC
InChIInChI=1S/C13H22N2S/c1-3-5-8-14-9-12-11(4-2)15-13(16-12)10-6-7-10/h10,14H,3-9H2,1-2H3
InChIKeySYNGUYJZYMJMMG-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.47
Rot. Bonds7

About N-[(2-cyclopropyl-4-ethyl-1,3-thiazol-5-yl)methyl]butan-1-amine

N-[(2-cyclopropyl-4-ethyl-1,3-thiazol-5-yl)methyl]butan-1-amine (PubChem CID 82429453) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is N-[(2-cyclopropyl-4-ethyl-1,3-thiazol-5-yl)methyl]butan-1-amine.

Molecular Properties

Compound NameN-[(2-cyclopropyl-4-ethyl-1,3-thiazol-5-yl)methyl]butan-1-amine
PubChem CID82429453
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC NameN-[(2-cyclopropyl-4-ethyl-1,3-thiazol-5-yl)methyl]butan-1-amine
SMILESCCCCNCc1sc(C2CC2)nc1CC
InChIInChI=1S/C13H22N2S/c1-3-5-8-14-9-12-11(4-2)15-13(16-12)10-6-7-10/h10,14H,3-9H2,1-2H3
InChIKeySYNGUYJZYMJMMG-UHFFFAOYSA-N
XLogP3.47
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.47
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

N-[[4-ethyl-2-(4-ethylcyclohexyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 104841421
1-[4-ethyl-2-(4-methylcyclohexyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 104841127
N-[(2-cyclopropyl-4-propyl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine
CID 82432257
N-[(2-cyclopropyl-4-propyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
CID 82432254
N-[[2-(4,4-dimethylcyclohexyl)-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 104842098
N-[(2-cyclohexyl-4-propyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 82432400
N-[(4-ethyl-2-pentan-3-yl-1,3-thiazol-5-yl)methyl]butan-1-amine
CID 82429665
N-[[2-cyclopropyl-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine
CID 82440823
N-[[4-cyclopropyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]butan-1-amine
CID 82436687
N-[[2-(4,4-dimethylcyclohexyl)-4-ethyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 104841773
N-[[4-ethyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]methyl]butan-1-amine
CID 82430699
N-[(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 62403380

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopropyl-4-ethyl-1,3-thiazol-5-yl)methyl]butan-1-amine?
The IUPAC name of N-[(2-cyclopropyl-4-ethyl-1,3-thiazol-5-yl)methyl]butan-1-amine (CID 82429453) is N-[(2-cyclopropyl-4-ethyl-1,3-thiazol-5-yl)methyl]butan-1-amine.
What is the SMILES notation for N-[(2-cyclopropyl-4-ethyl-1,3-thiazol-5-yl)methyl]butan-1-amine?
The canonical SMILES for N-[(2-cyclopropyl-4-ethyl-1,3-thiazol-5-yl)methyl]butan-1-amine is CCCCNCc1sc(C2CC2)nc1CC.
What is the InChIKey of N-[(2-cyclopropyl-4-ethyl-1,3-thiazol-5-yl)methyl]butan-1-amine?
The InChIKey is SYNGUYJZYMJMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-3-5-8-14-9-12-11(4-2)15-13(16-12)10-6-7-10/h10,14H,3-9H2,1-2H3.
What are the key properties of N-[(2-cyclopropyl-4-ethyl-1,3-thiazol-5-yl)methyl]butan-1-amine?
N-[(2-cyclopropyl-4-ethyl-1,3-thiazol-5-yl)methyl]butan-1-amine has a molecular weight of 238.40 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopropyl-4-ethyl-1,3-thiazol-5-yl)methyl]butan-1-amine is sourced from PubChem (CID 82429453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).