(2S)-3-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butan-2-amine

C10H18N2S — CID 95377617

IUPAC(2S)-3-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butan-2-amine
SMILESCc1ncsc1CN[C@@H](C)C(C)C
InChIInChI=1S/C10H18N2S/c1-7(2)8(3)11-5-10-9(4)12-6-13-10/h6-8,11H,5H2,1-4H3/t8-/m0/s1
InChIKeyDHTDCWJWRYAVAI-QMMMGPOBSA-N
MW198.33 g/mol
LogP2.59
Rot. Bonds4

About (2S)-3-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butan-2-amine

(2S)-3-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butan-2-amine (PubChem CID 95377617) has the molecular formula C10H18N2S and a molecular weight of 198.33 g/mol. Its IUPAC name is (2S)-3-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butan-2-amine.

Molecular Properties

Compound Name(2S)-3-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butan-2-amine
PubChem CID95377617
Molecular FormulaC10H18N2S
Molecular Weight198.33 g/mol
Exact Mass198.12
IUPAC Name(2S)-3-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butan-2-amine
SMILESCc1ncsc1CN[C@@H](C)C(C)C
InChIInChI=1S/C10H18N2S/c1-7(2)8(3)11-5-10-9(4)12-6-13-10/h6-8,11H,5H2,1-4H3/t8-/m0/s1
InChIKeyDHTDCWJWRYAVAI-QMMMGPOBSA-N
XLogP2.59
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methyl-1,3-thiazol-5-yl)methyl]but-3-en-2-amine
CID 115691099
3-methyl-2-[(4-methyl-1,3-thiazol-5-yl)methylamino]butanamide
CID 103699284
1-(4-fluorophenyl)-2-[(4-methyl-1,3-thiazol-5-yl)methylamino]propan-1-ol
CID 111466927
N'-methyl-N-(3-methylbutan-2-yl)-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine
CID 63840712
4-methylsulfanyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butan-2-amine
CID 115654323
1-cyclobutyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 115717718
1-(2-methylpropoxy)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 115653493
(1S)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-thiophen-2-ylethanamine
CID 81398219
(1S)-1-(1-bromocyclopropyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 164642382
1-methylsulfonyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 64629765
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,1-diphenylmethanamine
CID 63280223
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-phenylpropan-2-amine
CID 63281061

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butan-2-amine?
The IUPAC name of (2S)-3-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butan-2-amine (CID 95377617) is (2S)-3-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butan-2-amine.
What is the SMILES notation for (2S)-3-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butan-2-amine?
The canonical SMILES for (2S)-3-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butan-2-amine is Cc1ncsc1CN[C@@H](C)C(C)C.
What is the InChIKey of (2S)-3-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butan-2-amine?
The InChIKey is DHTDCWJWRYAVAI-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H18N2S/c1-7(2)8(3)11-5-10-9(4)12-6-13-10/h6-8,11H,5H2,1-4H3/t8-/m0/s1.
What are the key properties of (2S)-3-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butan-2-amine?
(2S)-3-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butan-2-amine has a molecular weight of 198.33 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butan-2-amine is sourced from PubChem (CID 95377617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).