N-(2-methyl-5-nitrophenyl)-4,5-dihydro-1,3-thiazol-2-amine

C10H11N3O2S — CID 142006944

IUPACN-(2-methyl-5-nitrophenyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1ccc([N+](=O)[O-])cc1NC1=NCCS1
InChIInChI=1S/C10H11N3O2S/c1-7-2-3-8(13(14)15)6-9(7)12-10-11-4-5-16-10/h2-3,6H,4-5H2,1H3,(H,11,12)
InChIKeyWZOANBWYZJJSBG-UHFFFAOYSA-N
MW237.28 g/mol
LogP2.42
Rot. Bonds2

About N-(2-methyl-5-nitrophenyl)-4,5-dihydro-1,3-thiazol-2-amine

N-(2-methyl-5-nitrophenyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 142006944) has the molecular formula C10H11N3O2S and a molecular weight of 237.28 g/mol. Its IUPAC name is N-(2-methyl-5-nitrophenyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-methyl-5-nitrophenyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID142006944
Molecular FormulaC10H11N3O2S
Molecular Weight237.28 g/mol
Exact Mass237.06
IUPAC NameN-(2-methyl-5-nitrophenyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1ccc([N+](=O)[O-])cc1NC1=NCCS1
InChIInChI=1S/C10H11N3O2S/c1-7-2-3-8(13(14)15)6-9(7)12-10-11-4-5-16-10/h2-3,6H,4-5H2,1H3,(H,11,12)
InChIKeyWZOANBWYZJJSBG-UHFFFAOYSA-N
XLogP2.42
TPSA67.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

3-(4,5-dihydro-1,3-thiazol-2-ylamino)-4-methylbenzonitrile
CID 62103967
N-[4-(4-nitrophenyl)sulfanylphenyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 14076041
(2-methyl-5-nitrophenyl)hydrazine
CID 3918674
(2-methyl-5-nitroanilino)carbamic acid
CID 174219510
4-methyl-N-(2-methyl-5-nitrophenyl)-3-nitroaniline
CID 170118098
6-chloro-N-(2-methyl-5-nitrophenyl)pyrimidin-4-amine
CID 86061071
N-(2-methyl-4-nitrophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 18316074
3-ethyl-1-methyl-N-(2-methyl-5-nitrophenyl)pyrazol-4-amine
CID 107463745
1-ethyl-1-methyl-3-(2-methyl-5-nitrophenyl)urea
CID 113229838
1-N,4-N-bis(2-methyl-5-nitrophenyl)cyclohexane-1,4-dicarboxamide
CID 4927083
2-methyl-5-nitro-N-(3,3,3-trifluoropropyl)aniline
CID 63227359
4-methoxy-N-(2-methyl-5-nitrophenyl)pyrimidin-2-amine
CID 57435898

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-nitrophenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(2-methyl-5-nitrophenyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 142006944) is N-(2-methyl-5-nitrophenyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-methyl-5-nitrophenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-methyl-5-nitrophenyl)-4,5-dihydro-1,3-thiazol-2-amine is Cc1ccc([N+](=O)[O-])cc1NC1=NCCS1.
What is the InChIKey of N-(2-methyl-5-nitrophenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is WZOANBWYZJJSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S/c1-7-2-3-8(13(14)15)6-9(7)12-10-11-4-5-16-10/h2-3,6H,4-5H2,1H3,(H,11,12).
What are the key properties of N-(2-methyl-5-nitrophenyl)-4,5-dihydro-1,3-thiazol-2-amine?
N-(2-methyl-5-nitrophenyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 237.28 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-nitrophenyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 142006944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).