2-(ethylaminomethyl)-1,3-thiazol-4-amine

C6H11N3S — CID 117187093

IUPAC2-(ethylaminomethyl)-1,3-thiazol-4-amine
SMILESCCNCc1nc(N)cs1
InChIInChI=1S/C6H11N3S/c1-2-8-3-6-9-5(7)4-10-6/h4,8H,2-3,7H2,1H3
InChIKeyVSVLQZBSBHUDBK-UHFFFAOYSA-N
MW157.24 g/mol
LogP0.83
Rot. Bonds3

About 2-(ethylaminomethyl)-1,3-thiazol-4-amine

2-(ethylaminomethyl)-1,3-thiazol-4-amine (PubChem CID 117187093) has the molecular formula C6H11N3S and a molecular weight of 157.24 g/mol. Its IUPAC name is 2-(ethylaminomethyl)-1,3-thiazol-4-amine.

Molecular Properties

Compound Name2-(ethylaminomethyl)-1,3-thiazol-4-amine
PubChem CID117187093
Molecular FormulaC6H11N3S
Molecular Weight157.24 g/mol
Exact Mass157.07
IUPAC Name2-(ethylaminomethyl)-1,3-thiazol-4-amine
SMILESCCNCc1nc(N)cs1
InChIInChI=1S/C6H11N3S/c1-2-8-3-6-9-5(7)4-10-6/h4,8H,2-3,7H2,1H3
InChIKeyVSVLQZBSBHUDBK-UHFFFAOYSA-N
XLogP0.83
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.24
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-amino-1,3-thiazol-2-yl)methanol
CID 18533370
N-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62543018
2-(ethylsulfonylmethyl)-1,3-thiazol-4-amine
CID 117187031
2-(ethylsulfanylmethyl)-1,3-thiazol-4-amine
CID 83108600
4-(ethylaminomethyl)-1,3-thiazol-2-amine
CID 61325594
N-[[4-(propoxymethyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62450594
N-[[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62544012
2-(4-amino-1,3-thiazol-2-yl)acetamide
CID 130787595
N-[[4-(azocan-1-ylmethyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62417685
2-(4-amino-1,3-thiazol-2-yl)-N-propan-2-ylacetamide
CID 171049213
N-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]ethanamine
CID 62544977
N-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride
CID 120558401

Frequently Asked Questions

What is the IUPAC name of 2-(ethylaminomethyl)-1,3-thiazol-4-amine?
The IUPAC name of 2-(ethylaminomethyl)-1,3-thiazol-4-amine (CID 117187093) is 2-(ethylaminomethyl)-1,3-thiazol-4-amine.
What is the SMILES notation for 2-(ethylaminomethyl)-1,3-thiazol-4-amine?
The canonical SMILES for 2-(ethylaminomethyl)-1,3-thiazol-4-amine is CCNCc1nc(N)cs1.
What is the InChIKey of 2-(ethylaminomethyl)-1,3-thiazol-4-amine?
The InChIKey is VSVLQZBSBHUDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3S/c1-2-8-3-6-9-5(7)4-10-6/h4,8H,2-3,7H2,1H3.
What are the key properties of 2-(ethylaminomethyl)-1,3-thiazol-4-amine?
2-(ethylaminomethyl)-1,3-thiazol-4-amine has a molecular weight of 157.24 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylaminomethyl)-1,3-thiazol-4-amine is sourced from PubChem (CID 117187093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).