N-[(3-chloro-4-methylphenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-1-amine

C17H23ClN2S — CID 106818065

IUPACN-[(3-chloro-4-methylphenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C)c(Cl)c1)c1nc(C(C)C)cs1
InChIInChI=1S/C17H23ClN2S/c1-5-8-19-16(13-7-6-12(4)14(18)9-13)17-20-15(10-21-17)11(2)3/h6-7,9-11,16,19H,5,8H2,1-4H3
InChIKeyKJHPMMUAWXCQAR-UHFFFAOYSA-N
MW322.91 g/mol
LogP5.32
Rot. Bonds6

About N-[(3-chloro-4-methylphenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-1-amine

N-[(3-chloro-4-methylphenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-1-amine (PubChem CID 106818065) has the molecular formula C17H23ClN2S and a molecular weight of 322.91 g/mol. Its IUPAC name is N-[(3-chloro-4-methylphenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-chloro-4-methylphenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-1-amine
PubChem CID106818065
Molecular FormulaC17H23ClN2S
Molecular Weight322.91 g/mol
Exact Mass322.13
IUPAC NameN-[(3-chloro-4-methylphenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C)c(Cl)c1)c1nc(C(C)C)cs1
InChIInChI=1S/C17H23ClN2S/c1-5-8-19-16(13-7-6-12(4)14(18)9-13)17-20-15(10-21-17)11(2)3/h6-7,9-11,16,19H,5,8H2,1-4H3
InChIKeyKJHPMMUAWXCQAR-UHFFFAOYSA-N
XLogP5.32
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.91
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3-chloro-4-methylphenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-1-amine with MolForge

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Related Compounds

N-[(4-bromo-3-methylphenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 66480410
N-[(3-chloro-4-methylphenyl)-(5-iodothiophen-3-yl)methyl]propan-1-amine
CID 107561776
N-[(4-bromo-3-methylphenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 66481209
N-[(4-fluoro-3-methylphenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 62121915
N-[(3-bromothiophen-2-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 115380873
N-[(3-chloro-4-methylphenyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105022789
N-[(3,4-dichlorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
CID 61332600
2-(3-chloro-4-methylphenyl)-4-propan-2-yl-1,3-thiazole
CID 165458129
N-[(3,5-dichlorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 61330656
N-[(2-bromo-3-methylphenyl)-(3-chloro-4-methylphenyl)methyl]propan-1-amine
CID 107985618
N-[(4-methyl-1,3-thiazol-2-yl)-[4-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 61330841
N-[(4-ethylphenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 61334433

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-methylphenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3-chloro-4-methylphenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-1-amine (CID 106818065) is N-[(3-chloro-4-methylphenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-chloro-4-methylphenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-chloro-4-methylphenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-1-amine is CCCNC(c1ccc(C)c(Cl)c1)c1nc(C(C)C)cs1.
What is the InChIKey of N-[(3-chloro-4-methylphenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-1-amine?
The InChIKey is KJHPMMUAWXCQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2S/c1-5-8-19-16(13-7-6-12(4)14(18)9-13)17-20-15(10-21-17)11(2)3/h6-7,9-11,16,19H,5,8H2,1-4H3.
What are the key properties of N-[(3-chloro-4-methylphenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-1-amine?
N-[(3-chloro-4-methylphenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-1-amine has a molecular weight of 322.91 g/mol, XLogP of 5.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-methylphenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 106818065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).