3-methyl-4-(2-methyl-1,3-thiazol-5-yl)butan-2-amine

C9H16N2S — CID 82406413

IUPAC3-methyl-4-(2-methyl-1,3-thiazol-5-yl)butan-2-amine
SMILESCc1ncc(CC(C)C(C)N)s1
InChIInChI=1S/C9H16N2S/c1-6(7(2)10)4-9-5-11-8(3)12-9/h5-7H,4,10H2,1-3H3
InChIKeyOAANVCOYCABFLR-UHFFFAOYSA-N
MW184.31 g/mol
LogP1.98
Rot. Bonds3

About 3-methyl-4-(2-methyl-1,3-thiazol-5-yl)butan-2-amine

3-methyl-4-(2-methyl-1,3-thiazol-5-yl)butan-2-amine (PubChem CID 82406413) has the molecular formula C9H16N2S and a molecular weight of 184.31 g/mol. Its IUPAC name is 3-methyl-4-(2-methyl-1,3-thiazol-5-yl)butan-2-amine.

Molecular Properties

Compound Name3-methyl-4-(2-methyl-1,3-thiazol-5-yl)butan-2-amine
PubChem CID82406413
Molecular FormulaC9H16N2S
Molecular Weight184.31 g/mol
Exact Mass184.10
IUPAC Name3-methyl-4-(2-methyl-1,3-thiazol-5-yl)butan-2-amine
SMILESCc1ncc(CC(C)C(C)N)s1
InChIInChI=1S/C9H16N2S/c1-6(7(2)10)4-9-5-11-8(3)12-9/h5-7H,4,10H2,1-3H3
InChIKeyOAANVCOYCABFLR-UHFFFAOYSA-N
XLogP1.98
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 ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(2-methyl-1,3-thiazol-5-yl)butan-2-amine?
The IUPAC name of 3-methyl-4-(2-methyl-1,3-thiazol-5-yl)butan-2-amine (CID 82406413) is 3-methyl-4-(2-methyl-1,3-thiazol-5-yl)butan-2-amine.
What is the SMILES notation for 3-methyl-4-(2-methyl-1,3-thiazol-5-yl)butan-2-amine?
The canonical SMILES for 3-methyl-4-(2-methyl-1,3-thiazol-5-yl)butan-2-amine is Cc1ncc(CC(C)C(C)N)s1.
What is the InChIKey of 3-methyl-4-(2-methyl-1,3-thiazol-5-yl)butan-2-amine?
The InChIKey is OAANVCOYCABFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2S/c1-6(7(2)10)4-9-5-11-8(3)12-9/h5-7H,4,10H2,1-3H3.
What are the key properties of 3-methyl-4-(2-methyl-1,3-thiazol-5-yl)butan-2-amine?
3-methyl-4-(2-methyl-1,3-thiazol-5-yl)butan-2-amine has a molecular weight of 184.31 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(2-methyl-1,3-thiazol-5-yl)butan-2-amine is sourced from PubChem (CID 82406413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).