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

C9H16N2S — CID 65015632

IUPAC2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-2-amine
SMILESCc1ncsc1CCC(C)(C)N
InChIInChI=1S/C9H16N2S/c1-7-8(12-6-11-7)4-5-9(2,3)10/h6H,4-5,10H2,1-3H3
InChIKeyIHLICEXMVIIXCW-UHFFFAOYSA-N
MW184.31 g/mol
LogP2.12
Rot. Bonds3

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

2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-2-amine (PubChem CID 65015632) has the molecular formula C9H16N2S and a molecular weight of 184.31 g/mol. Its IUPAC name is 2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-2-amine.

Molecular Properties

Compound Name2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-2-amine
PubChem CID65015632
Molecular FormulaC9H16N2S
Molecular Weight184.31 g/mol
Exact Mass184.10
IUPAC Name2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-2-amine
SMILESCc1ncsc1CCC(C)(C)N
InChIInChI=1S/C9H16N2S/c1-7-8(12-6-11-7)4-5-9(2,3)10/h6H,4-5,10H2,1-3H3
InChIKeyIHLICEXMVIIXCW-UHFFFAOYSA-N
XLogP2.12
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 ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,2,2-trimethyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine
CID 62726130
2-carbamoyl-2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butanoic acid
CID 114899727
2-(4-methyl-1,3-thiazol-5-yl)ethanamine;dihydrobromide
CID 53398787
2-ethyl-2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butanenitrile
CID 65379325
2-ethyl-N,2-dimethyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine
CID 62724465
5-(2-iodoethyl)-4-methyl-1,3-thiazole
CID 3031968
2-(4-methyl-1,3-thiazol-5-yl)ethanethiol
CID 18690003
O-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]hydroxylamine
CID 11228942
2,2-dimethyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]butan-1-amine
CID 65248861
2-cyclopropyl-2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-ol
CID 83149735
2,3-dimethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]butan-2-ol
CID 103993489
5-(2-bromoethyl)-4-methyl-1,3-thiazole;hydrobromide
CID 70095117

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-2-amine?
The IUPAC name of 2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-2-amine (CID 65015632) is 2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-2-amine.
What is the SMILES notation for 2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-2-amine?
The canonical SMILES for 2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-2-amine is Cc1ncsc1CCC(C)(C)N.
What is the InChIKey of 2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-2-amine?
The InChIKey is IHLICEXMVIIXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2S/c1-7-8(12-6-11-7)4-5-9(2,3)10/h6H,4-5,10H2,1-3H3.
What are the key properties of 2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-2-amine?
2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-2-amine has a molecular weight of 184.31 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-2-amine is sourced from PubChem (CID 65015632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).