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

C10H18N2S2 — CID 115654323

IUPAC4-methylsulfanyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butan-2-amine
SMILESCSCCC(C)NCc1scnc1C
InChIInChI=1S/C10H18N2S2/c1-8(4-5-13-3)11-6-10-9(2)12-7-14-10/h7-8,11H,4-6H2,1-3H3
InChIKeyVEVHTBIUDGXKIU-UHFFFAOYSA-N
MW230.40 g/mol
LogP2.68
Rot. Bonds6

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

4-methylsulfanyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butan-2-amine (PubChem CID 115654323) has the molecular formula C10H18N2S2 and a molecular weight of 230.40 g/mol. Its IUPAC name is 4-methylsulfanyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butan-2-amine.

Molecular Properties

Compound Name4-methylsulfanyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butan-2-amine
PubChem CID115654323
Molecular FormulaC10H18N2S2
Molecular Weight230.40 g/mol
Exact Mass230.09
IUPAC Name4-methylsulfanyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butan-2-amine
SMILESCSCCC(C)NCc1scnc1C
InChIInChI=1S/C10H18N2S2/c1-8(4-5-13-3)11-6-10-9(2)12-7-14-10/h7-8,11H,4-6H2,1-3H3
InChIKeyVEVHTBIUDGXKIU-UHFFFAOYSA-N
XLogP2.68
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butan-2-amine
CID 95377617
1-(2-methylpropoxy)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 115653493
1-methylsulfonyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 64629765
(2R)-2-amino-4-methylsulfanyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide
CID 104908447
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-phenylpropan-2-amine
CID 63281061
N-[(4-methyl-1,3-thiazol-5-yl)methyl]but-3-en-2-amine
CID 115691099
2-[(3S)-3-[(4-methyl-1,3-thiazol-5-yl)methylamino]butyl]isoindole-1,3-dione
CID 99855729
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyridin-2-ylethanamine
CID 63280230
5-fluoro-N,N-dimethyl-2-[1-[(4-methyl-1,3-thiazol-5-yl)methylamino]ethyl]aniline
CID 75427897
(2S)-2-hydroxy-4-methylsulfanyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]butanamide
CID 99972824
(1S)-1-(2-bromophenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 81383017
1-(1,3-dimethylpyrazol-4-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 65197135

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butan-2-amine?
The IUPAC name of 4-methylsulfanyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butan-2-amine (CID 115654323) is 4-methylsulfanyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butan-2-amine.
What is the SMILES notation for 4-methylsulfanyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butan-2-amine?
The canonical SMILES for 4-methylsulfanyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butan-2-amine is CSCCC(C)NCc1scnc1C.
What is the InChIKey of 4-methylsulfanyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butan-2-amine?
The InChIKey is VEVHTBIUDGXKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S2/c1-8(4-5-13-3)11-6-10-9(2)12-7-14-10/h7-8,11H,4-6H2,1-3H3.
What are the key properties of 4-methylsulfanyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butan-2-amine?
4-methylsulfanyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butan-2-amine has a molecular weight of 230.40 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butan-2-amine is sourced from PubChem (CID 115654323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).