1-(4-cyclopropyl-2-pentan-3-yl-1,3-thiazol-5-yl)-N-methylmethanamine

C13H22N2S — CID 82437062

IUPAC1-(4-cyclopropyl-2-pentan-3-yl-1,3-thiazol-5-yl)-N-methylmethanamine
SMILESCCC(CC)c1nc(C2CC2)c(CNC)s1
InChIInChI=1S/C13H22N2S/c1-4-9(5-2)13-15-12(10-6-7-10)11(16-13)8-14-3/h9-10,14H,4-8H2,1-3H3
InChIKeyBEIKYUIHFCYQHL-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.64
Rot. Bonds6

About 1-(4-cyclopropyl-2-pentan-3-yl-1,3-thiazol-5-yl)-N-methylmethanamine

1-(4-cyclopropyl-2-pentan-3-yl-1,3-thiazol-5-yl)-N-methylmethanamine (PubChem CID 82437062) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is 1-(4-cyclopropyl-2-pentan-3-yl-1,3-thiazol-5-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-cyclopropyl-2-pentan-3-yl-1,3-thiazol-5-yl)-N-methylmethanamine
PubChem CID82437062
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name1-(4-cyclopropyl-2-pentan-3-yl-1,3-thiazol-5-yl)-N-methylmethanamine
SMILESCCC(CC)c1nc(C2CC2)c(CNC)s1
InChIInChI=1S/C13H22N2S/c1-4-9(5-2)13-15-12(10-6-7-10)11(16-13)8-14-3/h9-10,14H,4-8H2,1-3H3
InChIKeyBEIKYUIHFCYQHL-UHFFFAOYSA-N
XLogP3.64
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(bromomethyl)-4-cyclopropyl-2-pentan-3-yl-1,3-thiazole
CID 82437074
1-[4-cyclopropyl-2-(1-ethoxy-2,2-dimethylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114366979
1-(4-cyclopropyl-2-propyl-1,3-thiazol-5-yl)-N-methylmethanamine
CID 82436151
1-[4-cyclopropyl-2-(4-ethylcyclohexyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114367070
1-[4-cyclopropyl-2-(cyclopropylmethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114367019
4-cyclopropyl-N-methyl-5-(methylaminomethyl)-N-(1-methylsulfanylbutan-2-yl)-1,3-thiazol-2-amine
CID 112666494
4-cyclopropyl-N-(1-cyclopropylethyl)-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 63915790
1-[4-cyclopropyl-2-(2-ethoxybutan-2-yl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114367080
4-cyclopropyl-N-methyl-5-(methylaminomethyl)-N-pentyl-1,3-thiazol-2-amine
CID 63915980
1-[4-cyclopropyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 63917328
N-[[4-cyclopropyl-2-(1-ethoxy-2-methylpropyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114367234
1-[2-(cyclopentylsulfanylmethyl)-4-cyclopropyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114367056

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropyl-2-pentan-3-yl-1,3-thiazol-5-yl)-N-methylmethanamine?
The IUPAC name of 1-(4-cyclopropyl-2-pentan-3-yl-1,3-thiazol-5-yl)-N-methylmethanamine (CID 82437062) is 1-(4-cyclopropyl-2-pentan-3-yl-1,3-thiazol-5-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-cyclopropyl-2-pentan-3-yl-1,3-thiazol-5-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4-cyclopropyl-2-pentan-3-yl-1,3-thiazol-5-yl)-N-methylmethanamine is CCC(CC)c1nc(C2CC2)c(CNC)s1.
What is the InChIKey of 1-(4-cyclopropyl-2-pentan-3-yl-1,3-thiazol-5-yl)-N-methylmethanamine?
The InChIKey is BEIKYUIHFCYQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-4-9(5-2)13-15-12(10-6-7-10)11(16-13)8-14-3/h9-10,14H,4-8H2,1-3H3.
What are the key properties of 1-(4-cyclopropyl-2-pentan-3-yl-1,3-thiazol-5-yl)-N-methylmethanamine?
1-(4-cyclopropyl-2-pentan-3-yl-1,3-thiazol-5-yl)-N-methylmethanamine has a molecular weight of 238.40 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropyl-2-pentan-3-yl-1,3-thiazol-5-yl)-N-methylmethanamine is sourced from PubChem (CID 82437062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).