2-amino-3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)benzamide

C13H14N4OS — CID 115545359

IUPAC2-amino-3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)benzamide
SMILESNC(=O)c1cccc(Nc2nc3c(s2)CCC3)c1N
InChIInChI=1S/C13H14N4OS/c14-11-7(12(15)18)3-1-5-9(11)17-13-16-8-4-2-6-10(8)19-13/h1,3,5H,2,4,6,14H2,(H2,15,18)(H,16,17)
InChIKeyDWRQGULMHXEOBR-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.06
Rot. Bonds3

About 2-amino-3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)benzamide

2-amino-3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)benzamide (PubChem CID 115545359) has the molecular formula C13H14N4OS and a molecular weight of 274.35 g/mol. Its IUPAC name is 2-amino-3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)benzamide.

Molecular Properties

Compound Name2-amino-3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)benzamide
PubChem CID115545359
Molecular FormulaC13H14N4OS
Molecular Weight274.35 g/mol
Exact Mass274.09
IUPAC Name2-amino-3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)benzamide
SMILESNC(=O)c1cccc(Nc2nc3c(s2)CCC3)c1N
InChIInChI=1S/C13H14N4OS/c14-11-7(12(15)18)3-1-5-9(11)17-13-16-8-4-2-6-10(8)19-13/h1,3,5H,2,4,6,14H2,(H2,15,18)(H,16,17)
InChIKeyDWRQGULMHXEOBR-UHFFFAOYSA-N
XLogP2.06
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.06
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

methyl 2-amino-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)benzoate
CID 115545374
2-bromo-6-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)benzenecarbothioamide
CID 114882155
2-amino-3-[(6-methyl-1,3-benzothiazol-2-yl)amino]benzamide
CID 115544304
3-amino-2-chloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 115930466
4-chloro-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)benzenecarbothioamide
CID 63520477
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(ethylamino)benzamide
CID 62176858
4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-2-fluorobenzenecarbothioamide
CID 115368096
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)benzamide
CID 5140427
5-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)furan-2-carboxylic acid
CID 62205330
1-(6-phenylpyridazin-3-yl)-3-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)phenyl]thiourea
CID 6417950
2-amino-3-(2-methylanilino)benzamide
CID 113332516
2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)pyridine-3-carboxylic acid
CID 63615433

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)benzamide?
The IUPAC name of 2-amino-3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)benzamide (CID 115545359) is 2-amino-3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)benzamide.
What is the SMILES notation for 2-amino-3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)benzamide?
The canonical SMILES for 2-amino-3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)benzamide is NC(=O)c1cccc(Nc2nc3c(s2)CCC3)c1N.
What is the InChIKey of 2-amino-3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)benzamide?
The InChIKey is DWRQGULMHXEOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4OS/c14-11-7(12(15)18)3-1-5-9(11)17-13-16-8-4-2-6-10(8)19-13/h1,3,5H,2,4,6,14H2,(H2,15,18)(H,16,17).
What are the key properties of 2-amino-3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)benzamide?
2-amino-3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)benzamide has a molecular weight of 274.35 g/mol, XLogP of 2.06, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)benzamide is sourced from PubChem (CID 115545359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).