3-amino-2-(methylamino)-N-(1,3-thiazol-2-yl)benzamide

C11H12N4OS — CID 143922390

IUPAC3-amino-2-(methylamino)-N-(1,3-thiazol-2-yl)benzamide
SMILESCNc1c(N)cccc1C(=O)Nc1nccs1
InChIInChI=1S/C11H12N4OS/c1-13-9-7(3-2-4-8(9)12)10(16)15-11-14-5-6-17-11/h2-6,13H,12H2,1H3,(H,14,15,16)
InChIKeyLNBPTOOSOGKJEW-UHFFFAOYSA-N
MW248.31 g/mol
LogP2.02
Rot. Bonds3

About 3-amino-2-(methylamino)-N-(1,3-thiazol-2-yl)benzamide

3-amino-2-(methylamino)-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 143922390) has the molecular formula C11H12N4OS and a molecular weight of 248.31 g/mol. Its IUPAC name is 3-amino-2-(methylamino)-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-amino-2-(methylamino)-N-(1,3-thiazol-2-yl)benzamide
PubChem CID143922390
Molecular FormulaC11H12N4OS
Molecular Weight248.31 g/mol
Exact Mass248.07
IUPAC Name3-amino-2-(methylamino)-N-(1,3-thiazol-2-yl)benzamide
SMILESCNc1c(N)cccc1C(=O)Nc1nccs1
InChIInChI=1S/C11H12N4OS/c1-13-9-7(3-2-4-8(9)12)10(16)15-11-14-5-6-17-11/h2-6,13H,12H2,1H3,(H,14,15,16)
InChIKeyLNBPTOOSOGKJEW-UHFFFAOYSA-N
XLogP2.02
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(methylamino)-3-nitro-N-(1,3-thiazol-2-yl)benzamide
CID 112580537
2,3-difluoro-N-(1,3-thiazol-2-yl)benzamide
CID 62650804
3-amino-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 61090146
2-amino-6-ethoxy-N-(1,3-thiazol-2-yl)benzamide
CID 81409659
5-(methylamino)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 104639863
2-(propan-2-ylamino)-N-(1,3-thiazol-2-yl)benzamide
CID 63107522
N-(1,3-thiazol-2-yl)phenazine-1-carboxamide
CID 3713587
3,5-difluoro-4-(methylamino)-N-(1,3-thiazol-2-yl)benzamide
CID 55160396
6-(methylamino)-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 62171449
2-[(2-methylpropan-2-yl)oxy]-N-(1,3-thiazol-2-yl)benzamide
CID 110464702
2-ethylsulfonyl-N-(1,3-thiazol-2-yl)benzamide
CID 7295168
[2-(2-carbamoylphenyl)-3-(1,3-thiazol-2-ylcarbamoyl)phenyl]boronic acid
CID 87176257

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(methylamino)-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-amino-2-(methylamino)-N-(1,3-thiazol-2-yl)benzamide (CID 143922390) is 3-amino-2-(methylamino)-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-amino-2-(methylamino)-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-amino-2-(methylamino)-N-(1,3-thiazol-2-yl)benzamide is CNc1c(N)cccc1C(=O)Nc1nccs1.
What is the InChIKey of 3-amino-2-(methylamino)-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is LNBPTOOSOGKJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS/c1-13-9-7(3-2-4-8(9)12)10(16)15-11-14-5-6-17-11/h2-6,13H,12H2,1H3,(H,14,15,16).
What are the key properties of 3-amino-2-(methylamino)-N-(1,3-thiazol-2-yl)benzamide?
3-amino-2-(methylamino)-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 248.31 g/mol, XLogP of 2.02, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(methylamino)-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 143922390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).