1-[2-(methylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]ethanamine

C10H18N2S2 — CID 82432080

IUPAC1-[2-(methylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]ethanamine
SMILESCCCc1nc(CSC)sc1C(C)N
InChIInChI=1S/C10H18N2S2/c1-4-5-8-10(7(2)11)14-9(12-8)6-13-3/h7H,4-6,11H2,1-3H3
InChIKeyKFQJERDZLPDZCJ-UHFFFAOYSA-N
MW230.40 g/mol
LogP2.98
Rot. Bonds5

About 1-[2-(methylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]ethanamine

1-[2-(methylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]ethanamine (PubChem CID 82432080) has the molecular formula C10H18N2S2 and a molecular weight of 230.40 g/mol. Its IUPAC name is 1-[2-(methylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[2-(methylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]ethanamine
PubChem CID82432080
Molecular FormulaC10H18N2S2
Molecular Weight230.40 g/mol
Exact Mass230.09
IUPAC Name1-[2-(methylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]ethanamine
SMILESCCCc1nc(CSC)sc1C(C)N
InChIInChI=1S/C10H18N2S2/c1-4-5-8-10(7(2)11)14-9(12-8)6-13-3/h7H,4-6,11H2,1-3H3
InChIKeyKFQJERDZLPDZCJ-UHFFFAOYSA-N
XLogP2.98
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-diethyl-1,3-thiazol-5-yl)ethanamine
CID 82428207
2-[2-(methylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]propan-2-amine
CID 82432070
1-(2-pentan-3-yl-4-propyl-1,3-thiazol-5-yl)ethanamine
CID 82432458
1-[2-[(3-chlorophenyl)methyl]-4-propyl-1,3-thiazol-5-yl]ethanamine
CID 82431677
1-[2-[(4-methylpiperidin-1-yl)methyl]-4-propyl-1,3-thiazol-5-yl]ethanamine
CID 82433019
1-[2-[2-(azepan-1-yl)ethyl]-4-ethyl-1,3-thiazol-5-yl]ethanamine
CID 82430846
N-[[4-(2-methylpropyl)-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114368777
1-(4-propyl-2-pyridin-4-yl-1,3-thiazol-5-yl)ethanamine
CID 82431765
1-[4-ethyl-2-(2-morpholin-4-ylethyl)-1,3-thiazol-5-yl]ethanamine
CID 82430826
1-[4-cyclopropyl-2-(propylsulfanylmethyl)-1,3-thiazol-5-yl]ethanamine
CID 82436801
N-methyl-5-[2-(methylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine
CID 82432074
1-[4-methyl-2-(2-methylpropylsulfanylmethyl)-1,3-thiazol-5-yl]ethanamine
CID 65137339

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 1-[2-(methylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]ethanamine (CID 82432080) is 1-[2-(methylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 1-[2-(methylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 1-[2-(methylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]ethanamine is CCCc1nc(CSC)sc1C(C)N.
What is the InChIKey of 1-[2-(methylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]ethanamine?
The InChIKey is KFQJERDZLPDZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S2/c1-4-5-8-10(7(2)11)14-9(12-8)6-13-3/h7H,4-6,11H2,1-3H3.
What are the key properties of 1-[2-(methylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]ethanamine?
1-[2-(methylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]ethanamine has a molecular weight of 230.40 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 82432080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).