2-(4-ethyl-1,3-thiazol-2-yl)butan-2-amine

C9H16N2S — CID 62040006

IUPAC2-(4-ethyl-1,3-thiazol-2-yl)butan-2-amine
SMILESCCc1csc(C(C)(N)CC)n1
InChIInChI=1S/C9H16N2S/c1-4-7-6-12-8(11-7)9(3,10)5-2/h6H,4-5,10H2,1-3H3
InChIKeyKHPZVUCCSQSHRR-UHFFFAOYSA-N
MW184.31 g/mol
LogP2.29
Rot. Bonds3

About 2-(4-ethyl-1,3-thiazol-2-yl)butan-2-amine

2-(4-ethyl-1,3-thiazol-2-yl)butan-2-amine (PubChem CID 62040006) has the molecular formula C9H16N2S and a molecular weight of 184.31 g/mol. Its IUPAC name is 2-(4-ethyl-1,3-thiazol-2-yl)butan-2-amine.

Molecular Properties

Compound Name2-(4-ethyl-1,3-thiazol-2-yl)butan-2-amine
PubChem CID62040006
Molecular FormulaC9H16N2S
Molecular Weight184.31 g/mol
Exact Mass184.10
IUPAC Name2-(4-ethyl-1,3-thiazol-2-yl)butan-2-amine
SMILESCCc1csc(C(C)(N)CC)n1
InChIInChI=1S/C9H16N2S/c1-4-7-6-12-8(11-7)9(3,10)5-2/h6H,4-5,10H2,1-3H3
InChIKeyKHPZVUCCSQSHRR-UHFFFAOYSA-N
XLogP2.29
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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4-Ethyl-2-propylthiazole
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2-(2-Methyl-1,3-thiazol-4-yl)ethan-1-amine
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(4-Tert-butyl-1,3-thiazol-2-yl)methanamine
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4-Ethyl-2-pentylthiazole
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1-(2-Methyl-1,3-thiazol-4-yl)ethan-1-amine
CID 18184162
alpha-Methyl-2-(1-methylethyl)-4-thiazolemethanamine
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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-1,3-thiazol-2-yl)butan-2-amine?
The IUPAC name of 2-(4-ethyl-1,3-thiazol-2-yl)butan-2-amine (CID 62040006) is 2-(4-ethyl-1,3-thiazol-2-yl)butan-2-amine.
What is the SMILES notation for 2-(4-ethyl-1,3-thiazol-2-yl)butan-2-amine?
The canonical SMILES for 2-(4-ethyl-1,3-thiazol-2-yl)butan-2-amine is CCc1csc(C(C)(N)CC)n1.
What is the InChIKey of 2-(4-ethyl-1,3-thiazol-2-yl)butan-2-amine?
The InChIKey is KHPZVUCCSQSHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2S/c1-4-7-6-12-8(11-7)9(3,10)5-2/h6H,4-5,10H2,1-3H3.
What are the key properties of 2-(4-ethyl-1,3-thiazol-2-yl)butan-2-amine?
2-(4-ethyl-1,3-thiazol-2-yl)butan-2-amine has a molecular weight of 184.31 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-1,3-thiazol-2-yl)butan-2-amine is sourced from PubChem (CID 62040006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).