5-chloro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2,1,3-benzothiadiazol-4-amine

C12H11ClN4S2 — CID 65473320

IUPAC5-chloro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2,1,3-benzothiadiazol-4-amine
SMILESCc1ncsc1CCNc1c(Cl)ccc2nsnc12
InChIInChI=1S/C12H11ClN4S2/c1-7-10(18-6-15-7)4-5-14-11-8(13)2-3-9-12(11)17-19-16-9/h2-3,6,14H,4-5H2,1H3
InChIKeyYTMZUZNTFVNYTP-UHFFFAOYSA-N
MW310.84 g/mol
LogP3.76
Rot. Bonds4

About 5-chloro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2,1,3-benzothiadiazol-4-amine

5-chloro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2,1,3-benzothiadiazol-4-amine (PubChem CID 65473320) has the molecular formula C12H11ClN4S2 and a molecular weight of 310.84 g/mol. Its IUPAC name is 5-chloro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2,1,3-benzothiadiazol-4-amine.

Molecular Properties

Compound Name5-chloro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2,1,3-benzothiadiazol-4-amine
PubChem CID65473320
Molecular FormulaC12H11ClN4S2
Molecular Weight310.84 g/mol
Exact Mass310.01
IUPAC Name5-chloro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2,1,3-benzothiadiazol-4-amine
SMILESCc1ncsc1CCNc1c(Cl)ccc2nsnc12
InChIInChI=1S/C12H11ClN4S2/c1-7-10(18-6-15-7)4-5-14-11-8(13)2-3-9-12(11)17-19-16-9/h2-3,6,14H,4-5H2,1H3
InChIKeyYTMZUZNTFVNYTP-UHFFFAOYSA-N
XLogP3.76
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.84
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5,7-dichloro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2,1,3-benzothiadiazol-4-amine
CID 65473503
N-butyl-5-chloro-2,1,3-benzothiadiazol-4-amine
CID 65475994
5-chloro-N-(2-methoxyethyl)-2,1,3-benzothiadiazol-4-amine
CID 65474285
3,4-dichloro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 62071151
5-chloro-N-hexyl-2,1,3-benzothiadiazol-4-amine
CID 65473471
5-chloro-N-(4-methylpentyl)-2,1,3-benzothiadiazol-4-amine
CID 83156138
5-chloro-N-prop-2-ynyl-2,1,3-benzothiadiazol-4-amine
CID 65473847
5-chloro-N-(4,4,4-trifluorobutyl)-2,1,3-benzothiadiazol-4-amine
CID 113326361
5-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]-2,1,3-benzothiadiazol-4-amine
CID 82890060
2,4,5-trichloro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 62072016
5-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,1,3-benzothiadiazol-4-amine
CID 168583120
5-chloro-N-[(5-methyl-2-pyridinyl)methyl]-2,1,3-benzothiadiazol-4-amine
CID 81313328

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2,1,3-benzothiadiazol-4-amine?
The IUPAC name of 5-chloro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2,1,3-benzothiadiazol-4-amine (CID 65473320) is 5-chloro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2,1,3-benzothiadiazol-4-amine.
What is the SMILES notation for 5-chloro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2,1,3-benzothiadiazol-4-amine?
The canonical SMILES for 5-chloro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2,1,3-benzothiadiazol-4-amine is Cc1ncsc1CCNc1c(Cl)ccc2nsnc12.
What is the InChIKey of 5-chloro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2,1,3-benzothiadiazol-4-amine?
The InChIKey is YTMZUZNTFVNYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4S2/c1-7-10(18-6-15-7)4-5-14-11-8(13)2-3-9-12(11)17-19-16-9/h2-3,6,14H,4-5H2,1H3.
What are the key properties of 5-chloro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2,1,3-benzothiadiazol-4-amine?
5-chloro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2,1,3-benzothiadiazol-4-amine has a molecular weight of 310.84 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2,1,3-benzothiadiazol-4-amine is sourced from PubChem (CID 65473320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).