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

C15H17ClN2OS — CID 63514434

IUPAC2-[(2-chlorophenyl)methyl-methylamino]-4-propyl-1,3-thiazole-5-carbaldehyde
SMILESCCCc1nc(N(C)Cc2ccccc2Cl)sc1C=O
InChIInChI=1S/C15H17ClN2OS/c1-3-6-13-14(10-19)20-15(17-13)18(2)9-11-7-4-5-8-12(11)16/h4-5,7-8,10H,3,6,9H2,1-2H3
InChIKeyACWLVEFGUOOHIE-UHFFFAOYSA-N
MW308.83 g/mol
LogP4.20
Rot. Bonds6

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

2-[(2-chlorophenyl)methyl-methylamino]-4-propyl-1,3-thiazole-5-carbaldehyde (PubChem CID 63514434) has the molecular formula C15H17ClN2OS and a molecular weight of 308.83 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl-methylamino]-4-propyl-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl-methylamino]-4-propyl-1,3-thiazole-5-carbaldehyde
PubChem CID63514434
Molecular FormulaC15H17ClN2OS
Molecular Weight308.83 g/mol
Exact Mass308.08
IUPAC Name2-[(2-chlorophenyl)methyl-methylamino]-4-propyl-1,3-thiazole-5-carbaldehyde
SMILESCCCc1nc(N(C)Cc2ccccc2Cl)sc1C=O
InChIInChI=1S/C15H17ClN2OS/c1-3-6-13-14(10-19)20-15(17-13)18(2)9-11-7-4-5-8-12(11)16/h4-5,7-8,10H,3,6,9H2,1-2H3
InChIKeyACWLVEFGUOOHIE-UHFFFAOYSA-N
XLogP4.20
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.83
LogP ≤ 54.20
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

2-[methyl(pyridin-2-ylmethyl)amino]-4-propyl-1,3-thiazole-5-carbaldehyde
CID 62765756
2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-4-propyl-1,3-thiazole-5-carbaldehyde
CID 62764045
4-ethyl-2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-5-carbaldehyde
CID 62765593
2-[(2-chlorophenyl)methyl-methylamino]-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 107509361
4-tert-butyl-2-[methyl-[(2-methylphenyl)methyl]amino]-1,3-thiazole-5-carbaldehyde
CID 63513237
4-chloro-N-[(2-chlorophenyl)methyl]-N-methyl-1,3-thiazol-2-amine
CID 83156449
5-(aminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]-4-propyl-1,3-thiazol-2-amine
CID 62767236
5-(aminomethyl)-N-[(2-chlorophenyl)methyl]-4-cyclopropyl-N-methyl-1,3-thiazol-2-amine
CID 63918558
4-chloro-2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-5-carbaldehyde
CID 80687787
5-(1-aminoethyl)-N-[(2-chlorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine
CID 62749851
2-[butyl(ethyl)amino]-4-propyl-1,3-thiazole-5-carbaldehyde
CID 62765926
2-N-[(2-chlorophenyl)methyl]-2-N-methyl-1,3-benzothiazole-2,6-diamine
CID 63231007

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl-methylamino]-4-propyl-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-[(2-chlorophenyl)methyl-methylamino]-4-propyl-1,3-thiazole-5-carbaldehyde (CID 63514434) is 2-[(2-chlorophenyl)methyl-methylamino]-4-propyl-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl-methylamino]-4-propyl-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-[(2-chlorophenyl)methyl-methylamino]-4-propyl-1,3-thiazole-5-carbaldehyde is CCCc1nc(N(C)Cc2ccccc2Cl)sc1C=O.
What is the InChIKey of 2-[(2-chlorophenyl)methyl-methylamino]-4-propyl-1,3-thiazole-5-carbaldehyde?
The InChIKey is ACWLVEFGUOOHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2OS/c1-3-6-13-14(10-19)20-15(17-13)18(2)9-11-7-4-5-8-12(11)16/h4-5,7-8,10H,3,6,9H2,1-2H3.
What are the key properties of 2-[(2-chlorophenyl)methyl-methylamino]-4-propyl-1,3-thiazole-5-carbaldehyde?
2-[(2-chlorophenyl)methyl-methylamino]-4-propyl-1,3-thiazole-5-carbaldehyde has a molecular weight of 308.83 g/mol, XLogP of 4.20, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl-methylamino]-4-propyl-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 63514434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).