[2-(2-methylazepan-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine

C14H25N3S — CID 79393020

IUPAC[2-(2-methylazepan-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
SMILESCC(C)c1nc(N2CCCCCC2C)sc1CN
InChIInChI=1S/C14H25N3S/c1-10(2)13-12(9-15)18-14(16-13)17-8-6-4-5-7-11(17)3/h10-11H,4-9,15H2,1-3H3
InChIKeyBYCUVXBOGFGKSW-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.49
Rot. Bonds3

About [2-(2-methylazepan-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine

[2-(2-methylazepan-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine (PubChem CID 79393020) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is [2-(2-methylazepan-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(2-methylazepan-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
PubChem CID79393020
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC Name[2-(2-methylazepan-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
SMILESCC(C)c1nc(N2CCCCCC2C)sc1CN
InChIInChI=1S/C14H25N3S/c1-10(2)13-12(9-15)18-14(16-13)17-8-6-4-5-7-11(17)3/h10-11H,4-9,15H2,1-3H3
InChIKeyBYCUVXBOGFGKSW-UHFFFAOYSA-N
XLogP3.49
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2,5-dimethylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 79392675
[4-cyclopropyl-2-(2-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 63916747
2-methoxy-N-[[2-(2-methylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
CID 79381395
2-methyl-N-[[2-(2-methylpyrrolidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 79396233
[4-ethyl-2-(2-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 62765484
[2-(2,5-dimethylmorpholin-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 79395338
N-[[4-ethyl-2-(2-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62764650
[2-(4,4-dimethylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 79393371
N-[[2-(2-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]butan-2-amine
CID 82433326
(4-propan-2-yl-2-thiomorpholin-4-yl-1,3-thiazol-5-yl)methanamine
CID 79395608
[4-chloro-2-(2-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methanol
CID 80692988
N-[(4-propan-2-yl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine
CID 82435595

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylazepan-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-(2-methylazepan-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine (CID 79393020) is [2-(2-methylazepan-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-(2-methylazepan-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-(2-methylazepan-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine is CC(C)c1nc(N2CCCCCC2C)sc1CN.
What is the InChIKey of [2-(2-methylazepan-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine?
The InChIKey is BYCUVXBOGFGKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-10(2)13-12(9-15)18-14(16-13)17-8-6-4-5-7-11(17)3/h10-11H,4-9,15H2,1-3H3.
What are the key properties of [2-(2-methylazepan-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine?
[2-(2-methylazepan-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine has a molecular weight of 267.44 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylazepan-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 79393020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).