7-chloro-N-methyl-[1,3]thiazolo[4,5-b]quinoxalin-2-amine

C10H7ClN4S — CID 14147318

IUPAC7-chloro-N-methyl-[1,3]thiazolo[4,5-b]quinoxalin-2-amine
SMILESCNc1nc2nc3ccc(Cl)cc3nc2s1
InChIInChI=1S/C10H7ClN4S/c1-12-10-15-8-9(16-10)14-7-4-5(11)2-3-6(7)13-8/h2-4H,1H3,(H,12,13,15)
InChIKeyINMKVCIMGFQHIQ-UHFFFAOYSA-N
MW250.71 g/mol
LogP2.93
Rot. Bonds1

About 7-chloro-N-methyl-[1,3]thiazolo[4,5-b]quinoxalin-2-amine

7-chloro-N-methyl-[1,3]thiazolo[4,5-b]quinoxalin-2-amine (PubChem CID 14147318) has the molecular formula C10H7ClN4S and a molecular weight of 250.71 g/mol. Its IUPAC name is 7-chloro-N-methyl-[1,3]thiazolo[4,5-b]quinoxalin-2-amine.

Molecular Properties

Compound Name7-chloro-N-methyl-[1,3]thiazolo[4,5-b]quinoxalin-2-amine
PubChem CID14147318
Molecular FormulaC10H7ClN4S
Molecular Weight250.71 g/mol
Exact Mass250.01
IUPAC Name7-chloro-N-methyl-[1,3]thiazolo[4,5-b]quinoxalin-2-amine
SMILESCNc1nc2nc3ccc(Cl)cc3nc2s1
InChIInChI=1S/C10H7ClN4S/c1-12-10-15-8-9(16-10)14-7-4-5(11)2-3-6(7)13-8/h2-4H,1H3,(H,12,13,15)
InChIKeyINMKVCIMGFQHIQ-UHFFFAOYSA-N
XLogP2.93
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.71
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-N-methyl-1,3-benzothiazol-2-amine
CID 10774358
6-chloro-N-methylquinoxalin-2-amine
CID 119092444
2,3,8-trichloroquinoxalino[2,3-b]quinoxaline
CID 101466553
6-chloro-2-ethyl-3H-imidazo[4,5-b]quinoxaline
CID 21435971
4-bromo-6-chloro-N-methyl-1,3-benzothiazol-2-amine
CID 82549373
1,3,8-trichlorophenazine
CID 154716543
2-bromo-8-chlorophenazine
CID 119028483
3-chloro-9-nitro-[1]benzothiolo[2,3-b]quinoxaline
CID 10543399
6-chloro-2-N,3-N-bis(2-methylpropyl)quinoxaline-2,3-diamine
CID 139642343
7-chloro-N-methyl-1,3-benzothiazol-2-amine
CID 14988135
5-[(4-chlorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine
CID 82054667
methyl 7-chlorophenazine-2-carboxylate
CID 154715967

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-methyl-[1,3]thiazolo[4,5-b]quinoxalin-2-amine?
The IUPAC name of 7-chloro-N-methyl-[1,3]thiazolo[4,5-b]quinoxalin-2-amine (CID 14147318) is 7-chloro-N-methyl-[1,3]thiazolo[4,5-b]quinoxalin-2-amine.
What is the SMILES notation for 7-chloro-N-methyl-[1,3]thiazolo[4,5-b]quinoxalin-2-amine?
The canonical SMILES for 7-chloro-N-methyl-[1,3]thiazolo[4,5-b]quinoxalin-2-amine is CNc1nc2nc3ccc(Cl)cc3nc2s1.
What is the InChIKey of 7-chloro-N-methyl-[1,3]thiazolo[4,5-b]quinoxalin-2-amine?
The InChIKey is INMKVCIMGFQHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN4S/c1-12-10-15-8-9(16-10)14-7-4-5(11)2-3-6(7)13-8/h2-4H,1H3,(H,12,13,15).
What are the key properties of 7-chloro-N-methyl-[1,3]thiazolo[4,5-b]quinoxalin-2-amine?
7-chloro-N-methyl-[1,3]thiazolo[4,5-b]quinoxalin-2-amine has a molecular weight of 250.71 g/mol, XLogP of 2.93, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-methyl-[1,3]thiazolo[4,5-b]quinoxalin-2-amine is sourced from PubChem (CID 14147318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).