1-(4-cyclopropylphenyl)-N-methyl-1-(1,3-thiazol-2-yl)methanamine

C14H16N2S — CID 79980474

IUPAC1-(4-cyclopropylphenyl)-N-methyl-1-(1,3-thiazol-2-yl)methanamine
SMILESCNC(c1ccc(C2CC2)cc1)c1nccs1
InChIInChI=1S/C14H16N2S/c1-15-13(14-16-8-9-17-14)12-6-4-11(5-7-12)10-2-3-10/h4-10,13,15H,2-3H2,1H3
InChIKeySEHYDGRQGXRNKK-UHFFFAOYSA-N
MW244.36 g/mol
LogP3.33
Rot. Bonds4

About 1-(4-cyclopropylphenyl)-N-methyl-1-(1,3-thiazol-2-yl)methanamine

1-(4-cyclopropylphenyl)-N-methyl-1-(1,3-thiazol-2-yl)methanamine (PubChem CID 79980474) has the molecular formula C14H16N2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 1-(4-cyclopropylphenyl)-N-methyl-1-(1,3-thiazol-2-yl)methanamine.

Molecular Properties

Compound Name1-(4-cyclopropylphenyl)-N-methyl-1-(1,3-thiazol-2-yl)methanamine
PubChem CID79980474
Molecular FormulaC14H16N2S
Molecular Weight244.36 g/mol
Exact Mass244.10
IUPAC Name1-(4-cyclopropylphenyl)-N-methyl-1-(1,3-thiazol-2-yl)methanamine
SMILESCNC(c1ccc(C2CC2)cc1)c1nccs1
InChIInChI=1S/C14H16N2S/c1-15-13(14-16-8-9-17-14)12-6-4-11(5-7-12)10-2-3-10/h4-10,13,15H,2-3H2,1H3
InChIKeySEHYDGRQGXRNKK-UHFFFAOYSA-N
XLogP3.33
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-cyclopropylphenyl)-(1,3-thiazol-2-yl)methyl]ethanamine
CID 79979986
N-methyl-1-(1,3-thiazol-2-yl)-1-[4-(trifluoromethoxy)phenyl]methanamine
CID 61331512
N-methyl-1-(1,3-thiazol-2-yl)-1-[4-(trifluoromethylsulfanyl)phenyl]methanamine
CID 61331510
1-(3-chloro-4-fluorophenyl)-N-methyl-1-(1,3-thiazol-2-yl)methanamine
CID 81154688
N-methyl-1-naphthalen-2-yl-1-(1,3-thiazol-2-yl)methanamine
CID 61330720
1-(4-cyclopropylphenyl)-N-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine
CID 79972040
N-[(3-cyclopropylphenyl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 79981023
1-(4-cyclohexylphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 43484975
N-methyl-1-(3-methylthiophen-2-yl)-1-(1,3-thiazol-2-yl)methanamine
CID 61346189
N-[(3-bromo-4-chlorophenyl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 83230978
N-[(2-cyclopropylphenyl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 79982575
1-(4-cyclopropylphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 79978937

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropylphenyl)-N-methyl-1-(1,3-thiazol-2-yl)methanamine?
The IUPAC name of 1-(4-cyclopropylphenyl)-N-methyl-1-(1,3-thiazol-2-yl)methanamine (CID 79980474) is 1-(4-cyclopropylphenyl)-N-methyl-1-(1,3-thiazol-2-yl)methanamine.
What is the SMILES notation for 1-(4-cyclopropylphenyl)-N-methyl-1-(1,3-thiazol-2-yl)methanamine?
The canonical SMILES for 1-(4-cyclopropylphenyl)-N-methyl-1-(1,3-thiazol-2-yl)methanamine is CNC(c1ccc(C2CC2)cc1)c1nccs1.
What is the InChIKey of 1-(4-cyclopropylphenyl)-N-methyl-1-(1,3-thiazol-2-yl)methanamine?
The InChIKey is SEHYDGRQGXRNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2S/c1-15-13(14-16-8-9-17-14)12-6-4-11(5-7-12)10-2-3-10/h4-10,13,15H,2-3H2,1H3.
What are the key properties of 1-(4-cyclopropylphenyl)-N-methyl-1-(1,3-thiazol-2-yl)methanamine?
1-(4-cyclopropylphenyl)-N-methyl-1-(1,3-thiazol-2-yl)methanamine has a molecular weight of 244.36 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropylphenyl)-N-methyl-1-(1,3-thiazol-2-yl)methanamine is sourced from PubChem (CID 79980474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).