2-(aminomethyl)-N-ethyl-1,3-thiazol-4-amine

C6H11N3S — CID 67482329

IUPAC2-(aminomethyl)-N-ethyl-1,3-thiazol-4-amine
SMILESCCNc1csc(CN)n1
InChIInChI=1S/C6H11N3S/c1-2-8-5-4-10-6(3-7)9-5/h4,8H,2-3,7H2,1H3
InChIKeyDTCQBNSQIUPYSC-UHFFFAOYSA-N
MW157.24 g/mol
LogP1.03
Rot. Bonds3

About 2-(aminomethyl)-N-ethyl-1,3-thiazol-4-amine

2-(aminomethyl)-N-ethyl-1,3-thiazol-4-amine (PubChem CID 67482329) has the molecular formula C6H11N3S and a molecular weight of 157.24 g/mol. Its IUPAC name is 2-(aminomethyl)-N-ethyl-1,3-thiazol-4-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N-ethyl-1,3-thiazol-4-amine
PubChem CID67482329
Molecular FormulaC6H11N3S
Molecular Weight157.24 g/mol
Exact Mass157.07
IUPAC Name2-(aminomethyl)-N-ethyl-1,3-thiazol-4-amine
SMILESCCNc1csc(CN)n1
InChIInChI=1S/C6H11N3S/c1-2-8-5-4-10-6(3-7)9-5/h4,8H,2-3,7H2,1H3
InChIKeyDTCQBNSQIUPYSC-UHFFFAOYSA-N
XLogP1.03
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 ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-ethyl-1,3-thiazol-4-amine?
The IUPAC name of 2-(aminomethyl)-N-ethyl-1,3-thiazol-4-amine (CID 67482329) is 2-(aminomethyl)-N-ethyl-1,3-thiazol-4-amine.
What is the SMILES notation for 2-(aminomethyl)-N-ethyl-1,3-thiazol-4-amine?
The canonical SMILES for 2-(aminomethyl)-N-ethyl-1,3-thiazol-4-amine is CCNc1csc(CN)n1.
What is the InChIKey of 2-(aminomethyl)-N-ethyl-1,3-thiazol-4-amine?
The InChIKey is DTCQBNSQIUPYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3S/c1-2-8-5-4-10-6(3-7)9-5/h4,8H,2-3,7H2,1H3.
What are the key properties of 2-(aminomethyl)-N-ethyl-1,3-thiazol-4-amine?
2-(aminomethyl)-N-ethyl-1,3-thiazol-4-amine has a molecular weight of 157.24 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-ethyl-1,3-thiazol-4-amine is sourced from PubChem (CID 67482329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).