2-(aminomethyl)-N-(2,3-dichlorophenyl)-1,3-thiazole-4-carboxamide

C11H9Cl2N3OS — CID 66375672

IUPAC2-(aminomethyl)-N-(2,3-dichlorophenyl)-1,3-thiazole-4-carboxamide
SMILESNCc1nc(C(=O)Nc2cccc(Cl)c2Cl)cs1
InChIInChI=1S/C11H9Cl2N3OS/c12-6-2-1-3-7(10(6)13)16-11(17)8-5-18-9(4-14)15-8/h1-3,5H,4,14H2,(H,16,17)
InChIKeyYSTMNDKJCBRAQP-UHFFFAOYSA-N
MW302.19 g/mol
LogP3.16
Rot. Bonds3

About 2-(aminomethyl)-N-(2,3-dichlorophenyl)-1,3-thiazole-4-carboxamide

2-(aminomethyl)-N-(2,3-dichlorophenyl)-1,3-thiazole-4-carboxamide (PubChem CID 66375672) has the molecular formula C11H9Cl2N3OS and a molecular weight of 302.19 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2,3-dichlorophenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2,3-dichlorophenyl)-1,3-thiazole-4-carboxamide
PubChem CID66375672
Molecular FormulaC11H9Cl2N3OS
Molecular Weight302.19 g/mol
Exact Mass300.98
IUPAC Name2-(aminomethyl)-N-(2,3-dichlorophenyl)-1,3-thiazole-4-carboxamide
SMILESNCc1nc(C(=O)Nc2cccc(Cl)c2Cl)cs1
InChIInChI=1S/C11H9Cl2N3OS/c12-6-2-1-3-7(10(6)13)16-11(17)8-5-18-9(4-14)15-8/h1-3,5H,4,14H2,(H,16,17)
InChIKeyYSTMNDKJCBRAQP-UHFFFAOYSA-N
XLogP3.16
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.19
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-(2-chloro-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 66377243
2-(aminomethyl)-N-(2-chloro-5-iodophenyl)-1,3-thiazole-4-carboxamide
CID 114259758
2-(aminomethyl)-N-(3-bromo-2-hydroxyphenyl)-1,3-thiazole-4-carboxamide
CID 81494297
2-(aminomethyl)-N-(2-cyanophenyl)-1,3-thiazole-4-carboxamide
CID 66375860
2-(aminomethyl)-N-(2-methylquinolin-8-yl)-1,3-thiazole-4-carboxamide
CID 66379840
2-(aminomethyl)-N-(2-methylsulfonylphenyl)-1,3-thiazole-4-carboxamide
CID 66376858
2-(aminomethyl)-N-(2-nitrophenyl)-1,3-thiazole-4-carboxamide
CID 66378018
2-(aminomethyl)-N-[2-(methoxymethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 66376075
2-(aminomethyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide
CID 119684716
2-(aminomethyl)-N-(2-methoxy-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 66375890
2-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 66375562
N-(5-acetamido-2-methylphenyl)-2-(aminomethyl)-1,3-thiazole-4-carboxamide
CID 66376845

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2,3-dichlorophenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-(2,3-dichlorophenyl)-1,3-thiazole-4-carboxamide (CID 66375672) is 2-(aminomethyl)-N-(2,3-dichlorophenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2,3-dichlorophenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-(2,3-dichlorophenyl)-1,3-thiazole-4-carboxamide is NCc1nc(C(=O)Nc2cccc(Cl)c2Cl)cs1.
What is the InChIKey of 2-(aminomethyl)-N-(2,3-dichlorophenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is YSTMNDKJCBRAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3OS/c12-6-2-1-3-7(10(6)13)16-11(17)8-5-18-9(4-14)15-8/h1-3,5H,4,14H2,(H,16,17).
What are the key properties of 2-(aminomethyl)-N-(2,3-dichlorophenyl)-1,3-thiazole-4-carboxamide?
2-(aminomethyl)-N-(2,3-dichlorophenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 302.19 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2,3-dichlorophenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66375672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).