N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,6-dimethyl-3-nitropyridin-2-amine

C11H11ClN4O2S — CID 141449791

IUPACN-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,6-dimethyl-3-nitropyridin-2-amine
SMILESCc1ccc([N+](=O)[O-])c(N(C)Cc2cnc(Cl)s2)n1
InChIInChI=1S/C11H11ClN4O2S/c1-7-3-4-9(16(17)18)10(14-7)15(2)6-8-5-13-11(12)19-8/h3-5H,6H2,1-2H3
InChIKeyDDYNVPSZHNTIRP-UHFFFAOYSA-N
MW298.76 g/mol
LogP3.04
Rot. Bonds4

About N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,6-dimethyl-3-nitropyridin-2-amine

N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,6-dimethyl-3-nitropyridin-2-amine (PubChem CID 141449791) has the molecular formula C11H11ClN4O2S and a molecular weight of 298.76 g/mol. Its IUPAC name is N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,6-dimethyl-3-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,6-dimethyl-3-nitropyridin-2-amine
PubChem CID141449791
Molecular FormulaC11H11ClN4O2S
Molecular Weight298.76 g/mol
Exact Mass298.03
IUPAC NameN-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,6-dimethyl-3-nitropyridin-2-amine
SMILESCc1ccc([N+](=O)[O-])c(N(C)Cc2cnc(Cl)s2)n1
InChIInChI=1S/C11H11ClN4O2S/c1-7-3-4-9(16(17)18)10(14-7)15(2)6-8-5-13-11(12)19-8/h3-5H,6H2,1-2H3
InChIKeyDDYNVPSZHNTIRP-UHFFFAOYSA-N
XLogP3.04
TPSA72.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.76
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,4,6-trimethyl-3-nitropyridin-2-amine
CID 141449787
2-[methyl-(6-methyl-3-nitro-2-pyridinyl)amino]ethanol
CID 81137666
3-[methyl-(6-methyl-3-nitro-2-pyridinyl)amino]propanenitrile
CID 81132027
6-chloro-N-(furan-3-ylmethyl)-N-methyl-3-nitropyridin-2-amine
CID 61422627
methyl 4-[methyl-(6-methyl-3-nitro-2-pyridinyl)amino]butanoate
CID 81136505
2-chloro-5-[(2-methyl-3-nitrophenoxy)methyl]-1,3-thiazole
CID 79764108
5-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-nitro-4-(trifluoromethyl)aniline
CID 55830706
6-[methyl(thiophen-2-ylmethyl)amino]-5-nitropyridine-2-carboxylic acid
CID 114403637
N-butyl-6-chloro-N-methyl-3-nitropyridin-2-amine
CID 43152647
1-[(6-chloro-3-nitro-2-pyridinyl)-methylamino]propan-2-ol
CID 62337373
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-6-methyl-3-nitropyridin-2-amine
CID 103780073
6-chloro-N-[(3-fluorophenyl)methyl]-N-methyl-3-nitropyridin-2-amine
CID 43330314

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,6-dimethyl-3-nitropyridin-2-amine?
The IUPAC name of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,6-dimethyl-3-nitropyridin-2-amine (CID 141449791) is N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,6-dimethyl-3-nitropyridin-2-amine.
What is the SMILES notation for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,6-dimethyl-3-nitropyridin-2-amine?
The canonical SMILES for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,6-dimethyl-3-nitropyridin-2-amine is Cc1ccc([N+](=O)[O-])c(N(C)Cc2cnc(Cl)s2)n1.
What is the InChIKey of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,6-dimethyl-3-nitropyridin-2-amine?
The InChIKey is DDYNVPSZHNTIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O2S/c1-7-3-4-9(16(17)18)10(14-7)15(2)6-8-5-13-11(12)19-8/h3-5H,6H2,1-2H3.
What are the key properties of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,6-dimethyl-3-nitropyridin-2-amine?
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,6-dimethyl-3-nitropyridin-2-amine has a molecular weight of 298.76 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,6-dimethyl-3-nitropyridin-2-amine is sourced from PubChem (CID 141449791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).