1-cyclopropyl-1-(4-methoxyphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine

C16H20N2OS — CID 103910978

IUPAC1-cyclopropyl-1-(4-methoxyphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine
SMILESCOc1ccc(C(NCc2ncc(C)s2)C2CC2)cc1
InChIInChI=1S/C16H20N2OS/c1-11-9-17-15(20-11)10-18-16(12-3-4-12)13-5-7-14(19-2)8-6-13/h5-9,12,16,18H,3-4,10H2,1-2H3
InChIKeyRMPIKNNFYNIDIK-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.70
Rot. Bonds6

About 1-cyclopropyl-1-(4-methoxyphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine

1-cyclopropyl-1-(4-methoxyphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine (PubChem CID 103910978) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 1-cyclopropyl-1-(4-methoxyphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-cyclopropyl-1-(4-methoxyphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine
PubChem CID103910978
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name1-cyclopropyl-1-(4-methoxyphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine
SMILESCOc1ccc(C(NCc2ncc(C)s2)C2CC2)cc1
InChIInChI=1S/C16H20N2OS/c1-11-9-17-15(20-11)10-18-16(12-3-4-12)13-5-7-14(19-2)8-6-13/h5-9,12,16,18H,3-4,10H2,1-2H3
InChIKeyRMPIKNNFYNIDIK-UHFFFAOYSA-N
XLogP3.70
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-1-(4-methoxyphenyl)-N-[(3-methyl-4-pyridinyl)methyl]methanamine
CID 114698985
N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]ethanamine
CID 93040874
1-cyclopropyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-methoxyphenyl)methanamine
CID 103790195
4-(4-methoxyphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butan-2-amine
CID 103786270
1-cyclopropyl-1-(4-methoxyphenyl)-N-(thiophen-3-ylmethyl)methanamine
CID 55027112
1-cyclopentyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-thiophen-2-ylmethanamine
CID 103898804
N-[(4-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methyl]ethanamine
CID 65423233
(1S)-1-cyclopropyl-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(4-methoxyphenyl)methanamine
CID 52532790
1-(2,5-dimethoxyphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 103786252
N-[cyclopropyl-(4-methoxyphenyl)methyl]hydroxylamine
CID 82684518
N-[cyclopropyl-(4-methoxyphenyl)methyl]-5-ethyl-1,3,4-thiadiazol-2-amine
CID 107647837
(1S)-1-cyclopropyl-1-(4-methoxyphenyl)-N-[[4-[(S)-methylsulfinyl]phenyl]methyl]methanamine
CID 95973403

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-(4-methoxyphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine?
The IUPAC name of 1-cyclopropyl-1-(4-methoxyphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine (CID 103910978) is 1-cyclopropyl-1-(4-methoxyphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-cyclopropyl-1-(4-methoxyphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-cyclopropyl-1-(4-methoxyphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine is COc1ccc(C(NCc2ncc(C)s2)C2CC2)cc1.
What is the InChIKey of 1-cyclopropyl-1-(4-methoxyphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine?
The InChIKey is RMPIKNNFYNIDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-11-9-17-15(20-11)10-18-16(12-3-4-12)13-5-7-14(19-2)8-6-13/h5-9,12,16,18H,3-4,10H2,1-2H3.
What are the key properties of 1-cyclopropyl-1-(4-methoxyphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine?
1-cyclopropyl-1-(4-methoxyphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine has a molecular weight of 288.42 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-(4-methoxyphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine is sourced from PubChem (CID 103910978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).