N-[[2-(oxan-3-yl)-4-propyl-1,3-thiazol-5-yl]methyl]cyclopropanamine

C15H24N2OS — CID 114364493

IUPACN-[[2-(oxan-3-yl)-4-propyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCCCc1nc(C2CCCOC2)sc1CNC1CC1
InChIInChI=1S/C15H24N2OS/c1-2-4-13-14(9-16-12-6-7-12)19-15(17-13)11-5-3-8-18-10-11/h11-12,16H,2-10H2,1H3
InChIKeyBRZPXXAJLMEBKU-UHFFFAOYSA-N
MW280.44 g/mol
LogP3.24
Rot. Bonds6

About N-[[2-(oxan-3-yl)-4-propyl-1,3-thiazol-5-yl]methyl]cyclopropanamine

N-[[2-(oxan-3-yl)-4-propyl-1,3-thiazol-5-yl]methyl]cyclopropanamine (PubChem CID 114364493) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is N-[[2-(oxan-3-yl)-4-propyl-1,3-thiazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(oxan-3-yl)-4-propyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
PubChem CID114364493
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC NameN-[[2-(oxan-3-yl)-4-propyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCCCc1nc(C2CCCOC2)sc1CNC1CC1
InChIInChI=1S/C15H24N2OS/c1-2-4-13-14(9-16-12-6-7-12)19-15(17-13)11-5-3-8-18-10-11/h11-12,16H,2-10H2,1H3
InChIKeyBRZPXXAJLMEBKU-UHFFFAOYSA-N
XLogP3.24
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(oxan-3-yl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 114361278
N-methyl-1-[2-(oxan-4-yl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 114363589
N-[(2-cyclohexyl-4-propyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 82432400
N-[[2-(3-ethylmorpholin-4-yl)-4-propyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 62767482
N-[(2-cyclobutyl-4-propyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-2-amine
CID 114364609
N-[[2-(4,4-dimethylcyclohexyl)-4-ethyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 104841773
N-[[2-(oxan-3-yl)-4-phenyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 81177510
N-[[2-(1,4-dimethylpiperazin-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114364492
N-[[2-cyclopropyl-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82440818
N-[[4-methyl-2-(oxan-4-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 65334244
N-[[4-cyclopropyl-2-(oxan-3-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 114368047
N-[[2-(4-methylcyclohexyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114369404

Frequently Asked Questions

What is the IUPAC name of N-[[2-(oxan-3-yl)-4-propyl-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(oxan-3-yl)-4-propyl-1,3-thiazol-5-yl]methyl]cyclopropanamine (CID 114364493) is N-[[2-(oxan-3-yl)-4-propyl-1,3-thiazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(oxan-3-yl)-4-propyl-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(oxan-3-yl)-4-propyl-1,3-thiazol-5-yl]methyl]cyclopropanamine is CCCc1nc(C2CCCOC2)sc1CNC1CC1.
What is the InChIKey of N-[[2-(oxan-3-yl)-4-propyl-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The InChIKey is BRZPXXAJLMEBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-2-4-13-14(9-16-12-6-7-12)19-15(17-13)11-5-3-8-18-10-11/h11-12,16H,2-10H2,1H3.
What are the key properties of N-[[2-(oxan-3-yl)-4-propyl-1,3-thiazol-5-yl]methyl]cyclopropanamine?
N-[[2-(oxan-3-yl)-4-propyl-1,3-thiazol-5-yl]methyl]cyclopropanamine has a molecular weight of 280.44 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(oxan-3-yl)-4-propyl-1,3-thiazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 114364493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).