(2-methyl-1,3-thiazol-4-yl)methanamine

C5H8N2S — CID 18467479

IUPAC(2-methyl-1,3-thiazol-4-yl)methanamine
SMILESCc1nc(CN)cs1
InChIInChI=1S/C5H8N2S/c1-4-7-5(2-6)3-8-4/h3H,2,6H2,1H3
InChIKeyZCKAEFOHSOQKHN-UHFFFAOYSA-N
MW128.20 g/mol
LogP0.91
Rot. Bonds1

About (2-methyl-1,3-thiazol-4-yl)methanamine

(2-methyl-1,3-thiazol-4-yl)methanamine (PubChem CID 18467479) has the molecular formula C5H8N2S and a molecular weight of 128.20 g/mol. Its IUPAC name is (2-methyl-1,3-thiazol-4-yl)methanamine.

Molecular Properties

Compound Name(2-methyl-1,3-thiazol-4-yl)methanamine
PubChem CID18467479
Molecular FormulaC5H8N2S
Molecular Weight128.20 g/mol
Exact Mass128.04
IUPAC Name(2-methyl-1,3-thiazol-4-yl)methanamine
SMILESCc1nc(CN)cs1
InChIInChI=1S/C5H8N2S/c1-4-7-5(2-6)3-8-4/h3H,2,6H2,1H3
InChIKeyZCKAEFOHSOQKHN-UHFFFAOYSA-N
XLogP0.91
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.20
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 10934
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N-(4-Methyl-thiazol-2-ylmethyl)-guanidine
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2-Methylthiazole-4-carbothioamide
CID 2744365
(4-Methyl-1,3-thiazol-2-yl)methanamine
CID 4667189
1,3-Thiazol-4-ylmethanamine
CID 15063652
Methyl(((4-(trifluoromethyl)-1,3-thiazol-2-yl)methyl))amine
CID 3353222
2-(4-Methyl-1,3-thiazol-2-yl)ethan-1-amine
CID 3422636
Methyl((4-methyl-1,3-thiazol-2-yl)methyl)amine
CID 3928654
1-((2-Methyl-1,3-thiazol-4-yl)methyl)piperazine
CID 16227460
[(2-Ethyl-1,3-thiazol-4-yl)methyl](methyl)amine
CID 16494968
Methyl[(2-methyl-1,3-thiazol-4-yl)methyl]amine
CID 18939489

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1,3-thiazol-4-yl)methanamine?
The IUPAC name of (2-methyl-1,3-thiazol-4-yl)methanamine (CID 18467479) is (2-methyl-1,3-thiazol-4-yl)methanamine.
What is the SMILES notation for (2-methyl-1,3-thiazol-4-yl)methanamine?
The canonical SMILES for (2-methyl-1,3-thiazol-4-yl)methanamine is Cc1nc(CN)cs1.
What is the InChIKey of (2-methyl-1,3-thiazol-4-yl)methanamine?
The InChIKey is ZCKAEFOHSOQKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2S/c1-4-7-5(2-6)3-8-4/h3H,2,6H2,1H3.
What are the key properties of (2-methyl-1,3-thiazol-4-yl)methanamine?
(2-methyl-1,3-thiazol-4-yl)methanamine has a molecular weight of 128.20 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1,3-thiazol-4-yl)methanamine is sourced from PubChem (CID 18467479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).