2-amino-5-(3-chlorophenyl)-1,3-thiazole-4-carbaldehyde

C10H7ClN2OS — CID 84700893

IUPAC2-amino-5-(3-chlorophenyl)-1,3-thiazole-4-carbaldehyde
SMILESNc1nc(C=O)c(-c2cccc(Cl)c2)s1
InChIInChI=1S/C10H7ClN2OS/c11-7-3-1-2-6(4-7)9-8(5-14)13-10(12)15-9/h1-5H,(H2,12,13)
InChIKeyMNUYIPYGCBXXJO-UHFFFAOYSA-N
MW238.70 g/mol
LogP2.86
Rot. Bonds2

About 2-amino-5-(3-chlorophenyl)-1,3-thiazole-4-carbaldehyde

2-amino-5-(3-chlorophenyl)-1,3-thiazole-4-carbaldehyde (PubChem CID 84700893) has the molecular formula C10H7ClN2OS and a molecular weight of 238.70 g/mol. Its IUPAC name is 2-amino-5-(3-chlorophenyl)-1,3-thiazole-4-carbaldehyde.

Molecular Properties

Compound Name2-amino-5-(3-chlorophenyl)-1,3-thiazole-4-carbaldehyde
PubChem CID84700893
Molecular FormulaC10H7ClN2OS
Molecular Weight238.70 g/mol
Exact Mass238.00
IUPAC Name2-amino-5-(3-chlorophenyl)-1,3-thiazole-4-carbaldehyde
SMILESNc1nc(C=O)c(-c2cccc(Cl)c2)s1
InChIInChI=1S/C10H7ClN2OS/c11-7-3-1-2-6(4-7)9-8(5-14)13-10(12)15-9/h1-5H,(H2,12,13)
InChIKeyMNUYIPYGCBXXJO-UHFFFAOYSA-N
XLogP2.86
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.70
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-(2-chlorophenyl)-1,3-thiazole-4-carbaldehyde
CID 84700892
5-(3-chlorophenyl)-4-thiophen-3-yl-1,3-thiazol-2-amine
CID 82106545
ethyl 2-amino-5-(3-chlorophenyl)-1,3-thiazole-4-carboxylate
CID 12603733
2-chloro-4,5-bis(3-chlorophenyl)-1,3-thiazole
CID 21408778
5-chloro-2-(3-chlorophenyl)-1,3-oxazole-4-carbaldehyde
CID 102261451
2-bromo-5-(3-hydroxyphenyl)-1,3-thiazole-4-carbaldehyde
CID 84715258
2-amino-4-(3-chlorophenyl)-1,3-thiazole-5-carboxamide
CID 16658823
5-(4-chlorophenoxy)-4-(3-chlorophenyl)-1,3-thiazol-2-amine
CID 88924571
4-(3-chlorophenyl)-5-propan-2-yl-1,3-thiazol-2-amine
CID 82106721
5-[2-(1-aminocyclohexyl)-4-pyridinyl]-4-(3-chlorophenyl)-1,3-thiazol-2-amine
CID 87896523
5-(3-chlorophenyl)-1H-pyrrol-2-amine
CID 117222744
2-methyl-5-phenyl-1,3-thiazole-4-carbaldehyde
CID 15359783

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(3-chlorophenyl)-1,3-thiazole-4-carbaldehyde?
The IUPAC name of 2-amino-5-(3-chlorophenyl)-1,3-thiazole-4-carbaldehyde (CID 84700893) is 2-amino-5-(3-chlorophenyl)-1,3-thiazole-4-carbaldehyde.
What is the SMILES notation for 2-amino-5-(3-chlorophenyl)-1,3-thiazole-4-carbaldehyde?
The canonical SMILES for 2-amino-5-(3-chlorophenyl)-1,3-thiazole-4-carbaldehyde is Nc1nc(C=O)c(-c2cccc(Cl)c2)s1.
What is the InChIKey of 2-amino-5-(3-chlorophenyl)-1,3-thiazole-4-carbaldehyde?
The InChIKey is MNUYIPYGCBXXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2OS/c11-7-3-1-2-6(4-7)9-8(5-14)13-10(12)15-9/h1-5H,(H2,12,13).
What are the key properties of 2-amino-5-(3-chlorophenyl)-1,3-thiazole-4-carbaldehyde?
2-amino-5-(3-chlorophenyl)-1,3-thiazole-4-carbaldehyde has a molecular weight of 238.70 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(3-chlorophenyl)-1,3-thiazole-4-carbaldehyde is sourced from PubChem (CID 84700893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).