2-[1-(4-chlorophenyl)ethyl-methylamino]-4-methyl-1,3-thiazole-5-carbaldehyde

C14H15ClN2OS — CID 62983529

IUPAC2-[1-(4-chlorophenyl)ethyl-methylamino]-4-methyl-1,3-thiazole-5-carbaldehyde
SMILESCc1nc(N(C)C(C)c2ccc(Cl)cc2)sc1C=O
InChIInChI=1S/C14H15ClN2OS/c1-9-13(8-18)19-14(16-9)17(3)10(2)11-4-6-12(15)7-5-11/h4-8,10H,1-3H3
InChIKeyVIUQCKMBPALRHP-UHFFFAOYSA-N
MW294.81 g/mol
LogP4.11
Rot. Bonds4

About 2-[1-(4-chlorophenyl)ethyl-methylamino]-4-methyl-1,3-thiazole-5-carbaldehyde

2-[1-(4-chlorophenyl)ethyl-methylamino]-4-methyl-1,3-thiazole-5-carbaldehyde (PubChem CID 62983529) has the molecular formula C14H15ClN2OS and a molecular weight of 294.81 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)ethyl-methylamino]-4-methyl-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)ethyl-methylamino]-4-methyl-1,3-thiazole-5-carbaldehyde
PubChem CID62983529
Molecular FormulaC14H15ClN2OS
Molecular Weight294.81 g/mol
Exact Mass294.06
IUPAC Name2-[1-(4-chlorophenyl)ethyl-methylamino]-4-methyl-1,3-thiazole-5-carbaldehyde
SMILESCc1nc(N(C)C(C)c2ccc(Cl)cc2)sc1C=O
InChIInChI=1S/C14H15ClN2OS/c1-9-13(8-18)19-14(16-9)17(3)10(2)11-4-6-12(15)7-5-11/h4-8,10H,1-3H3
InChIKeyVIUQCKMBPALRHP-UHFFFAOYSA-N
XLogP4.11
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.81
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

[4-chloro-2-[1-(4-chlorophenyl)ethyl-methylamino]-1,3-thiazol-5-yl]methanol
CID 80693639
4-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methyl-1,3-thiazol-2-amine
CID 83156958
2-[1-(4-chlorophenyl)ethyl-methylamino]-5,6-dihydro-4H-1,3-benzothiazol-7-one
CID 62985289
[2-[1-(4-chlorophenyl)ethyl-methylamino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol
CID 79396955
4-[1-(4-chlorophenyl)ethyl-methylamino]-2-methylbenzaldehyde
CID 63535809
6-[1-(4-chlorophenyl)ethyl-methylamino]pyridine-3-carbaldehyde
CID 80631934
4-methyl-2-(N,2,4-trimethylanilino)-1,3-thiazole-5-carbaldehyde
CID 62766091
2-(2-fluoro-N-methylanilino)-4-methyl-1,3-thiazole-5-carbaldehyde
CID 62765916
2-N-[1-(4-chlorophenyl)ethyl]-2-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine
CID 62985641
4-methyl-2-[methyl-[(4-methylphenyl)methyl]amino]-1,3-thiazole-5-carbaldehyde
CID 62765736
3-[2-[1-(4-chlorophenyl)ethyl-methylamino]-1,3-thiazol-4-yl]propanoic acid
CID 103487480
N-[1-(4-chlorophenyl)ethyl]-N,4-dimethylaniline
CID 121403567

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)ethyl-methylamino]-4-methyl-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-[1-(4-chlorophenyl)ethyl-methylamino]-4-methyl-1,3-thiazole-5-carbaldehyde (CID 62983529) is 2-[1-(4-chlorophenyl)ethyl-methylamino]-4-methyl-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-[1-(4-chlorophenyl)ethyl-methylamino]-4-methyl-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-[1-(4-chlorophenyl)ethyl-methylamino]-4-methyl-1,3-thiazole-5-carbaldehyde is Cc1nc(N(C)C(C)c2ccc(Cl)cc2)sc1C=O.
What is the InChIKey of 2-[1-(4-chlorophenyl)ethyl-methylamino]-4-methyl-1,3-thiazole-5-carbaldehyde?
The InChIKey is VIUQCKMBPALRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2OS/c1-9-13(8-18)19-14(16-9)17(3)10(2)11-4-6-12(15)7-5-11/h4-8,10H,1-3H3.
What are the key properties of 2-[1-(4-chlorophenyl)ethyl-methylamino]-4-methyl-1,3-thiazole-5-carbaldehyde?
2-[1-(4-chlorophenyl)ethyl-methylamino]-4-methyl-1,3-thiazole-5-carbaldehyde has a molecular weight of 294.81 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)ethyl-methylamino]-4-methyl-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 62983529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).