2-[(4-chlorophenyl)methyl]-N-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine

C16H21ClN2S — CID 62515744

IUPAC2-[(4-chlorophenyl)methyl]-N-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine
SMILESCNCC(CCc1scnc1C)Cc1ccc(Cl)cc1
InChIInChI=1S/C16H21ClN2S/c1-12-16(20-11-19-12)8-5-14(10-18-2)9-13-3-6-15(17)7-4-13/h3-4,6-7,11,14,18H,5,8-10H2,1-2H3
InChIKeyVSYZCMOVUMETEA-UHFFFAOYSA-N
MW308.88 g/mol
LogP4.12
Rot. Bonds7

About 2-[(4-chlorophenyl)methyl]-N-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine

2-[(4-chlorophenyl)methyl]-N-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine (PubChem CID 62515744) has the molecular formula C16H21ClN2S and a molecular weight of 308.88 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-N-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-N-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine
PubChem CID62515744
Molecular FormulaC16H21ClN2S
Molecular Weight308.88 g/mol
Exact Mass308.11
IUPAC Name2-[(4-chlorophenyl)methyl]-N-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine
SMILESCNCC(CCc1scnc1C)Cc1ccc(Cl)cc1
InChIInChI=1S/C16H21ClN2S/c1-12-16(20-11-19-12)8-5-14(10-18-2)9-13-3-6-15(17)7-4-13/h3-4,6-7,11,14,18H,5,8-10H2,1-2H3
InChIKeyVSYZCMOVUMETEA-UHFFFAOYSA-N
XLogP4.12
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.88
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-[(4-methylphenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine
CID 62515902
2-[(4-chlorophenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butanoic acid
CID 62071690
5-[3-(chloromethyl)-4-(4-methoxyphenyl)butyl]-4-methyl-1,3-thiazole
CID 66036397
2-(3-chlorophenyl)-N-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine
CID 79442661
2-[(4-methoxyphenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine
CID 62530583
1-(4-chlorophenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]methanesulfonamide
CID 110718503
2-[(3-bromothiophen-2-yl)methyl]-3-(4-chlorophenyl)-N-methylpropan-1-amine
CID 63521712
2-[(2-chlorophenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butan-1-ol
CID 66058492
N-[2-(4-chlorophenyl)ethyl]-2-(4-methyl-1,3-thiazol-5-yl)acetamide
CID 110679631
2-[(4-chlorophenyl)methyl]-N-methyl-3-(2-methyltetrazol-5-yl)propan-1-amine
CID 107052955
3-(4-chlorophenyl)-2-[(2-chlorophenyl)methyl]-N-methylpropan-1-amine
CID 63523145
N-ethyl-2-(4-methylphenyl)-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine
CID 79436580

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-N-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-N-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine (CID 62515744) is 2-[(4-chlorophenyl)methyl]-N-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-N-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-N-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine is CNCC(CCc1scnc1C)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-N-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine?
The InChIKey is VSYZCMOVUMETEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2S/c1-12-16(20-11-19-12)8-5-14(10-18-2)9-13-3-6-15(17)7-4-13/h3-4,6-7,11,14,18H,5,8-10H2,1-2H3.
What are the key properties of 2-[(4-chlorophenyl)methyl]-N-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine?
2-[(4-chlorophenyl)methyl]-N-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine has a molecular weight of 308.88 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl]-N-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine is sourced from PubChem (CID 62515744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).