[2-(thian-4-ylmethyl)-1,3-thiazol-4-yl]methanamine

C10H16N2S2 — CID 115088124

IUPAC[2-(thian-4-ylmethyl)-1,3-thiazol-4-yl]methanamine
SMILESNCc1csc(CC2CCSCC2)n1
InChIInChI=1S/C10H16N2S2/c11-6-9-7-14-10(12-9)5-8-1-3-13-4-2-8/h7-8H,1-6,11H2
InChIKeyOYRCRFIFZMFLDR-UHFFFAOYSA-N
MW228.39 g/mol
LogP2.29
Rot. Bonds3

About [2-(thian-4-ylmethyl)-1,3-thiazol-4-yl]methanamine

[2-(thian-4-ylmethyl)-1,3-thiazol-4-yl]methanamine (PubChem CID 115088124) has the molecular formula C10H16N2S2 and a molecular weight of 228.39 g/mol. Its IUPAC name is [2-(thian-4-ylmethyl)-1,3-thiazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-(thian-4-ylmethyl)-1,3-thiazol-4-yl]methanamine
PubChem CID115088124
Molecular FormulaC10H16N2S2
Molecular Weight228.39 g/mol
Exact Mass228.08
IUPAC Name[2-(thian-4-ylmethyl)-1,3-thiazol-4-yl]methanamine
SMILESNCc1csc(CC2CCSCC2)n1
InChIInChI=1S/C10H16N2S2/c11-6-9-7-14-10(12-9)5-8-1-3-13-4-2-8/h7-8H,1-6,11H2
InChIKeyOYRCRFIFZMFLDR-UHFFFAOYSA-N
XLogP2.29
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.39
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(thian-4-ylmethyl)-1,3-thiazol-4-yl]ethanamine
CID 115088155
N-methyl-2-[2-(thian-4-ylmethyl)-1,3-thiazol-4-yl]ethanamine
CID 115088156
3-[2-(thian-4-ylmethyl)-1,3-thiazol-4-yl]propanoic acid
CID 115088202
3-[2-(thiolan-3-ylmethyl)-1,3-thiazol-4-yl]propan-1-amine
CID 115088024
[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-4-yl]methanamine
CID 115087977
1-[2-(thiolan-3-ylmethyl)-1,3-thiazol-4-yl]propan-2-one
CID 115087946
[2-[(1,1-dioxothiolan-2-yl)methyl]-1,3-thiazol-4-yl]methanamine
CID 115088665
2-(cyclopentylmethyl)-4-(methoxymethyl)-1,3-thiazole
CID 100742041
[2-[(1-methylpiperidin-2-yl)methyl]-1,3-thiazol-4-yl]methanamine
CID 115088816
1-[2-(oxan-4-ylmethyl)-1,3-thiazol-4-yl]propan-2-amine
CID 115088149
[2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-4-yl]methanamine
CID 82515255
[2-(cyclohexylsulfanylmethyl)-1,3-thiazol-4-yl]methanamine
CID 65144067

Frequently Asked Questions

What is the IUPAC name of [2-(thian-4-ylmethyl)-1,3-thiazol-4-yl]methanamine?
The IUPAC name of [2-(thian-4-ylmethyl)-1,3-thiazol-4-yl]methanamine (CID 115088124) is [2-(thian-4-ylmethyl)-1,3-thiazol-4-yl]methanamine.
What is the SMILES notation for [2-(thian-4-ylmethyl)-1,3-thiazol-4-yl]methanamine?
The canonical SMILES for [2-(thian-4-ylmethyl)-1,3-thiazol-4-yl]methanamine is NCc1csc(CC2CCSCC2)n1.
What is the InChIKey of [2-(thian-4-ylmethyl)-1,3-thiazol-4-yl]methanamine?
The InChIKey is OYRCRFIFZMFLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S2/c11-6-9-7-14-10(12-9)5-8-1-3-13-4-2-8/h7-8H,1-6,11H2.
What are the key properties of [2-(thian-4-ylmethyl)-1,3-thiazol-4-yl]methanamine?
[2-(thian-4-ylmethyl)-1,3-thiazol-4-yl]methanamine has a molecular weight of 228.39 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(thian-4-ylmethyl)-1,3-thiazol-4-yl]methanamine is sourced from PubChem (CID 115088124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).