2-[methyl(1,3-thiazol-4-ylmethyl)amino]-4-phenyl-1,3-thiazole-5-carbaldehyde

C15H13N3OS2 — CID 62765919

IUPAC2-[methyl(1,3-thiazol-4-ylmethyl)amino]-4-phenyl-1,3-thiazole-5-carbaldehyde
SMILESCN(Cc1cscn1)c1nc(-c2ccccc2)c(C=O)s1
InChIInChI=1S/C15H13N3OS2/c1-18(7-12-9-20-10-16-12)15-17-14(13(8-19)21-15)11-5-3-2-4-6-11/h2-6,8-10H,7H2,1H3
InChIKeyARYDULRHSHURKN-UHFFFAOYSA-N
MW315.42 g/mol
LogP3.72
Rot. Bonds5

About 2-[methyl(1,3-thiazol-4-ylmethyl)amino]-4-phenyl-1,3-thiazole-5-carbaldehyde

2-[methyl(1,3-thiazol-4-ylmethyl)amino]-4-phenyl-1,3-thiazole-5-carbaldehyde (PubChem CID 62765919) has the molecular formula C15H13N3OS2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 2-[methyl(1,3-thiazol-4-ylmethyl)amino]-4-phenyl-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-[methyl(1,3-thiazol-4-ylmethyl)amino]-4-phenyl-1,3-thiazole-5-carbaldehyde
PubChem CID62765919
Molecular FormulaC15H13N3OS2
Molecular Weight315.42 g/mol
Exact Mass315.05
IUPAC Name2-[methyl(1,3-thiazol-4-ylmethyl)amino]-4-phenyl-1,3-thiazole-5-carbaldehyde
SMILESCN(Cc1cscn1)c1nc(-c2ccccc2)c(C=O)s1
InChIInChI=1S/C15H13N3OS2/c1-18(7-12-9-20-10-16-12)15-17-14(13(8-19)21-15)11-5-3-2-4-6-11/h2-6,8-10H,7H2,1H3
InChIKeyARYDULRHSHURKN-UHFFFAOYSA-N
XLogP3.72
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(dimethylamino)-4-phenyl-1,3-thiazole-5-carbaldehyde
CID 14570024
2-[3-(dimethylamino)propyl-methylamino]-4-phenyl-1,3-thiazole-5-carbaldehyde
CID 63725506
4-chloro-2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-5-carbaldehyde
CID 80687787
4-ethyl-2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-5-carbaldehyde
CID 62765593
2-[methyl(1,3-thiazol-4-ylmethyl)amino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 79392979
2-[methyl(pyridin-2-ylmethyl)amino]-4-propyl-1,3-thiazole-5-carbaldehyde
CID 62765756
4-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)quinazoline-2,4-diamine
CID 80814608
2-methyl-3-[methyl(1,3-thiazol-4-ylmethyl)amino]-2-phenylpropanal
CID 62277752
2-[cyclopropylmethyl(propyl)amino]-4-phenyl-1,3-thiazole-5-carbaldehyde
CID 63513575
6-[methyl(1,3-thiazol-4-ylmethyl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 55013505
5-(ethylaminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,3-thiazol-2-amine
CID 62754240
6-chloro-2-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridine-3-carboxylic acid
CID 55184898

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(1,3-thiazol-4-ylmethyl)amino]-4-phenyl-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-[methyl(1,3-thiazol-4-ylmethyl)amino]-4-phenyl-1,3-thiazole-5-carbaldehyde (CID 62765919) is 2-[methyl(1,3-thiazol-4-ylmethyl)amino]-4-phenyl-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-[methyl(1,3-thiazol-4-ylmethyl)amino]-4-phenyl-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-[methyl(1,3-thiazol-4-ylmethyl)amino]-4-phenyl-1,3-thiazole-5-carbaldehyde is CN(Cc1cscn1)c1nc(-c2ccccc2)c(C=O)s1.
What is the InChIKey of 2-[methyl(1,3-thiazol-4-ylmethyl)amino]-4-phenyl-1,3-thiazole-5-carbaldehyde?
The InChIKey is ARYDULRHSHURKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS2/c1-18(7-12-9-20-10-16-12)15-17-14(13(8-19)21-15)11-5-3-2-4-6-11/h2-6,8-10H,7H2,1H3.
What are the key properties of 2-[methyl(1,3-thiazol-4-ylmethyl)amino]-4-phenyl-1,3-thiazole-5-carbaldehyde?
2-[methyl(1,3-thiazol-4-ylmethyl)amino]-4-phenyl-1,3-thiazole-5-carbaldehyde has a molecular weight of 315.42 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(1,3-thiazol-4-ylmethyl)amino]-4-phenyl-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 62765919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).