(2-methyl-1,3-thiazol-5-yl)-(4-propylphenyl)methanamine

C14H18N2S — CID 114031639

IUPAC(2-methyl-1,3-thiazol-5-yl)-(4-propylphenyl)methanamine
SMILESCCCc1ccc(C(N)c2cnc(C)s2)cc1
InChIInChI=1S/C14H18N2S/c1-3-4-11-5-7-12(8-6-11)14(15)13-9-16-10(2)17-13/h5-9,14H,3-4,15H2,1-2H3
InChIKeyFMDSCNINEGMPQA-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.45
Rot. Bonds4

About (2-methyl-1,3-thiazol-5-yl)-(4-propylphenyl)methanamine

(2-methyl-1,3-thiazol-5-yl)-(4-propylphenyl)methanamine (PubChem CID 114031639) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is (2-methyl-1,3-thiazol-5-yl)-(4-propylphenyl)methanamine.

Molecular Properties

Compound Name(2-methyl-1,3-thiazol-5-yl)-(4-propylphenyl)methanamine
PubChem CID114031639
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC Name(2-methyl-1,3-thiazol-5-yl)-(4-propylphenyl)methanamine
SMILESCCCc1ccc(C(N)c2cnc(C)s2)cc1
InChIInChI=1S/C14H18N2S/c1-3-4-11-5-7-12(8-6-11)14(15)13-9-16-10(2)17-13/h5-9,14H,3-4,15H2,1-2H3
InChIKeyFMDSCNINEGMPQA-UHFFFAOYSA-N
XLogP3.45
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-(4-propylphenyl)-thiophen-2-ylmethanamine
CID 7129560
(4-propylphenyl)-pyrazin-2-ylmethanamine
CID 62801095
(5-fluoro-1-benzothiophen-2-yl)-(4-propylphenyl)methanamine
CID 105144310
(1S)-1-(4-propylphenyl)ethanamine
CID 7047688
(3-methylfuran-2-yl)-(4-propylphenyl)methanamine
CID 43464290
(4-butylphenyl)-thiophen-2-ylmethanamine
CID 4962878
(4-ethylphenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine
CID 43559043
2,2-dimethyl-1-(4-propylphenyl)propan-1-amine
CID 43198125
isoquinolin-1-yl-(4-propylphenyl)methanamine
CID 63949863
(2,5-dimethylfuran-3-yl)-(4-propylphenyl)methanamine
CID 43384416
(1-methylpyrazol-3-yl)-(4-propylphenyl)methanamine
CID 65200725
(3R)-3-amino-3-(2-methyl-1,3-thiazol-5-yl)propanoic acid
CID 96749685

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1,3-thiazol-5-yl)-(4-propylphenyl)methanamine?
The IUPAC name of (2-methyl-1,3-thiazol-5-yl)-(4-propylphenyl)methanamine (CID 114031639) is (2-methyl-1,3-thiazol-5-yl)-(4-propylphenyl)methanamine.
What is the SMILES notation for (2-methyl-1,3-thiazol-5-yl)-(4-propylphenyl)methanamine?
The canonical SMILES for (2-methyl-1,3-thiazol-5-yl)-(4-propylphenyl)methanamine is CCCc1ccc(C(N)c2cnc(C)s2)cc1.
What is the InChIKey of (2-methyl-1,3-thiazol-5-yl)-(4-propylphenyl)methanamine?
The InChIKey is FMDSCNINEGMPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-3-4-11-5-7-12(8-6-11)14(15)13-9-16-10(2)17-13/h5-9,14H,3-4,15H2,1-2H3.
What are the key properties of (2-methyl-1,3-thiazol-5-yl)-(4-propylphenyl)methanamine?
(2-methyl-1,3-thiazol-5-yl)-(4-propylphenyl)methanamine has a molecular weight of 246.38 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1,3-thiazol-5-yl)-(4-propylphenyl)methanamine is sourced from PubChem (CID 114031639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).