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

C14H24N2S — CID 82432255

IUPACN-[(2-cyclopropyl-4-propyl-1,3-thiazol-5-yl)methyl]butan-2-amine
SMILESCCCc1nc(C2CC2)sc1CNC(C)CC
InChIInChI=1S/C14H24N2S/c1-4-6-12-13(9-15-10(3)5-2)17-14(16-12)11-7-8-11/h10-11,15H,4-9H2,1-3H3
InChIKeyAVWOUOBXYBVLEZ-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.86
Rot. Bonds7

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

N-[(2-cyclopropyl-4-propyl-1,3-thiazol-5-yl)methyl]butan-2-amine (PubChem CID 82432255) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is N-[(2-cyclopropyl-4-propyl-1,3-thiazol-5-yl)methyl]butan-2-amine.

Molecular Properties

Compound NameN-[(2-cyclopropyl-4-propyl-1,3-thiazol-5-yl)methyl]butan-2-amine
PubChem CID82432255
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC NameN-[(2-cyclopropyl-4-propyl-1,3-thiazol-5-yl)methyl]butan-2-amine
SMILESCCCc1nc(C2CC2)sc1CNC(C)CC
InChIInChI=1S/C14H24N2S/c1-4-6-12-13(9-15-10(3)5-2)17-14(16-12)11-7-8-11/h10-11,15H,4-9H2,1-3H3
InChIKeyAVWOUOBXYBVLEZ-UHFFFAOYSA-N
XLogP3.86
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-cyclopropyl-4-propyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
CID 82432254
N-[[2-(3-methylcyclohexyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114364221
N-[[4-propyl-2-(propylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]butan-2-amine
CID 82432156
N-[(2-cyclohexyl-4-propyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 82432400
N-methyl-1-[4-propyl-2-(4-propylcyclohexyl)-1,3-thiazol-5-yl]methanamine
CID 114363337
1-[2-(4-tert-butylcyclohexyl)-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114363593
N-[(2-cyclopropyl-4-propyl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine
CID 82432257
N-[[2-(2-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]butan-2-amine
CID 82433326
N-[(4-ethyl-2-propyl-1,3-thiazol-5-yl)methyl]butan-2-amine
CID 82428480
N-[(2-cyclobutyl-4-propyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-2-amine
CID 114364609
N-methyl-1-[2-(oxan-4-yl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 114363589
[2-(4-methylcyclohexyl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 114361233

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopropyl-4-propyl-1,3-thiazol-5-yl)methyl]butan-2-amine?
The IUPAC name of N-[(2-cyclopropyl-4-propyl-1,3-thiazol-5-yl)methyl]butan-2-amine (CID 82432255) is N-[(2-cyclopropyl-4-propyl-1,3-thiazol-5-yl)methyl]butan-2-amine.
What is the SMILES notation for N-[(2-cyclopropyl-4-propyl-1,3-thiazol-5-yl)methyl]butan-2-amine?
The canonical SMILES for N-[(2-cyclopropyl-4-propyl-1,3-thiazol-5-yl)methyl]butan-2-amine is CCCc1nc(C2CC2)sc1CNC(C)CC.
What is the InChIKey of N-[(2-cyclopropyl-4-propyl-1,3-thiazol-5-yl)methyl]butan-2-amine?
The InChIKey is AVWOUOBXYBVLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-4-6-12-13(9-15-10(3)5-2)17-14(16-12)11-7-8-11/h10-11,15H,4-9H2,1-3H3.
What are the key properties of N-[(2-cyclopropyl-4-propyl-1,3-thiazol-5-yl)methyl]butan-2-amine?
N-[(2-cyclopropyl-4-propyl-1,3-thiazol-5-yl)methyl]butan-2-amine has a molecular weight of 252.43 g/mol, XLogP of 3.86, 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-propyl-1,3-thiazol-5-yl)methyl]butan-2-amine is sourced from PubChem (CID 82432255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).