[4-propyl-2-(thiolan-2-yl)-1,3-thiazol-5-yl]methanamine

C11H18N2S2 — CID 114361282

IUPAC[4-propyl-2-(thiolan-2-yl)-1,3-thiazol-5-yl]methanamine
SMILESCCCc1nc(C2CCCS2)sc1CN
InChIInChI=1S/C11H18N2S2/c1-2-4-8-10(7-12)15-11(13-8)9-5-3-6-14-9/h9H,2-7,12H2,1H3
InChIKeyLAFQYMAHHHPVBX-UHFFFAOYSA-N
MW242.41 g/mol
LogP3.12
Rot. Bonds4

About [4-propyl-2-(thiolan-2-yl)-1,3-thiazol-5-yl]methanamine

[4-propyl-2-(thiolan-2-yl)-1,3-thiazol-5-yl]methanamine (PubChem CID 114361282) has the molecular formula C11H18N2S2 and a molecular weight of 242.41 g/mol. Its IUPAC name is [4-propyl-2-(thiolan-2-yl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-propyl-2-(thiolan-2-yl)-1,3-thiazol-5-yl]methanamine
PubChem CID114361282
Molecular FormulaC11H18N2S2
Molecular Weight242.41 g/mol
Exact Mass242.09
IUPAC Name[4-propyl-2-(thiolan-2-yl)-1,3-thiazol-5-yl]methanamine
SMILESCCCc1nc(C2CCCS2)sc1CN
InChIInChI=1S/C11H18N2S2/c1-2-4-8-10(7-12)15-11(13-8)9-5-3-6-14-9/h9H,2-7,12H2,1H3
InChIKeyLAFQYMAHHHPVBX-UHFFFAOYSA-N
XLogP3.12
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-methylcyclohexyl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 114361233
[2-(oxan-3-yl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 114361278
(2-cyclobutyl-4-ethyl-1,3-thiazol-5-yl)methanamine
CID 104840931
[2-(3,3-difluorocyclohexyl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 114216484
N-[[4-propan-2-yl-2-(thiolan-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114365463
N-[[4-ethyl-2-(thian-2-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 104842194
N-[[4-(2-methylpropyl)-2-(thian-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114369110
5-(aminomethyl)-N-cyclopropyl-N-methyl-4-propyl-1,3-thiazol-2-amine
CID 62766909
N-[[2-(1,4-dithian-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114364006
(2-propan-2-yl-4-propyl-1,3-thiazol-5-yl)methanamine
CID 82431364
N-[(2-cyclohexyl-4-propyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 82432400
[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 65322070

Frequently Asked Questions

What is the IUPAC name of [4-propyl-2-(thiolan-2-yl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [4-propyl-2-(thiolan-2-yl)-1,3-thiazol-5-yl]methanamine (CID 114361282) is [4-propyl-2-(thiolan-2-yl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [4-propyl-2-(thiolan-2-yl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [4-propyl-2-(thiolan-2-yl)-1,3-thiazol-5-yl]methanamine is CCCc1nc(C2CCCS2)sc1CN.
What is the InChIKey of [4-propyl-2-(thiolan-2-yl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is LAFQYMAHHHPVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S2/c1-2-4-8-10(7-12)15-11(13-8)9-5-3-6-14-9/h9H,2-7,12H2,1H3.
What are the key properties of [4-propyl-2-(thiolan-2-yl)-1,3-thiazol-5-yl]methanamine?
[4-propyl-2-(thiolan-2-yl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 242.41 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-propyl-2-(thiolan-2-yl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 114361282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).