1-[4-cyclopropyl-2-(cyclopropylmethyl)-1,3-thiazol-5-yl]-N-methylmethanamine

C12H18N2S — CID 114367019

IUPAC1-[4-cyclopropyl-2-(cyclopropylmethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1sc(CC2CC2)nc1C1CC1
InChIInChI=1S/C12H18N2S/c1-13-7-10-12(9-4-5-9)14-11(15-10)6-8-2-3-8/h8-9,13H,2-7H2,1H3
InChIKeyFEBYPHILVYNVHK-UHFFFAOYSA-N
MW222.36 g/mol
LogP2.69
Rot. Bonds5

About 1-[4-cyclopropyl-2-(cyclopropylmethyl)-1,3-thiazol-5-yl]-N-methylmethanamine

1-[4-cyclopropyl-2-(cyclopropylmethyl)-1,3-thiazol-5-yl]-N-methylmethanamine (PubChem CID 114367019) has the molecular formula C12H18N2S and a molecular weight of 222.36 g/mol. Its IUPAC name is 1-[4-cyclopropyl-2-(cyclopropylmethyl)-1,3-thiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-cyclopropyl-2-(cyclopropylmethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
PubChem CID114367019
Molecular FormulaC12H18N2S
Molecular Weight222.36 g/mol
Exact Mass222.12
IUPAC Name1-[4-cyclopropyl-2-(cyclopropylmethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1sc(CC2CC2)nc1C1CC1
InChIInChI=1S/C12H18N2S/c1-13-7-10-12(9-4-5-9)14-11(15-10)6-8-2-3-8/h8-9,13H,2-7H2,1H3
InChIKeyFEBYPHILVYNVHK-UHFFFAOYSA-N
XLogP2.69
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-[2-(cyclopentylsulfanylmethyl)-4-cyclopropyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114367056
1-[4-cyclopropyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82437849
1-[4-cyclopropyl-2-[(3,4-dimethylphenyl)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114366991
1-[4-cyclopropyl-2-(phenoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82436409
1-[4-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine
CID 103150646
1-[4-cyclopropyl-2-[(4-fluorophenoxy)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82436579
1-(4-cyclopropyl-2-pentan-3-yl-1,3-thiazol-5-yl)-N-methylmethanamine
CID 82437062
1-[4-cyclopropyl-2-[4-(cyclopropylmethyl)piperazin-1-yl]-1,3-thiazol-5-yl]-N-methylmethanamine
CID 63915838
1-[4-cyclopropyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 63917328
1-[4-cyclopropyl-2-(3,5-dibromo-2-pyridinyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114367037

Frequently Asked Questions

What is the IUPAC name of 1-[4-cyclopropyl-2-(cyclopropylmethyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-cyclopropyl-2-(cyclopropylmethyl)-1,3-thiazol-5-yl]-N-methylmethanamine (CID 114367019) is 1-[4-cyclopropyl-2-(cyclopropylmethyl)-1,3-thiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-cyclopropyl-2-(cyclopropylmethyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-cyclopropyl-2-(cyclopropylmethyl)-1,3-thiazol-5-yl]-N-methylmethanamine is CNCc1sc(CC2CC2)nc1C1CC1.
What is the InChIKey of 1-[4-cyclopropyl-2-(cyclopropylmethyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The InChIKey is FEBYPHILVYNVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2S/c1-13-7-10-12(9-4-5-9)14-11(15-10)6-8-2-3-8/h8-9,13H,2-7H2,1H3.
What are the key properties of 1-[4-cyclopropyl-2-(cyclopropylmethyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
1-[4-cyclopropyl-2-(cyclopropylmethyl)-1,3-thiazol-5-yl]-N-methylmethanamine has a molecular weight of 222.36 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-cyclopropyl-2-(cyclopropylmethyl)-1,3-thiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 114367019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).