5-(2-amino-1,3-thiazol-4-yl)-1,3-dihydrobenzimidazol-2-one

C10H8N4OS — CID 16642984

IUPAC5-(2-amino-1,3-thiazol-4-yl)-1,3-dihydrobenzimidazol-2-one
SMILESNc1nc(-c2ccc3[nH]c(=O)[nH]c3c2)cs1
InChIInChI=1S/C10H8N4OS/c11-9-12-8(4-16-9)5-1-2-6-7(3-5)14-10(15)13-6/h1-4H,(H2,11,12)(H2,13,14,15)
InChIKeyGQXIAVAXNQYTNM-UHFFFAOYSA-N
MW232.27 g/mol
LogP1.56
Rot. Bonds1

About 5-(2-amino-1,3-thiazol-4-yl)-1,3-dihydrobenzimidazol-2-one

5-(2-amino-1,3-thiazol-4-yl)-1,3-dihydrobenzimidazol-2-one (PubChem CID 16642984) has the molecular formula C10H8N4OS and a molecular weight of 232.27 g/mol. Its IUPAC name is 5-(2-amino-1,3-thiazol-4-yl)-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-(2-amino-1,3-thiazol-4-yl)-1,3-dihydrobenzimidazol-2-one
PubChem CID16642984
Molecular FormulaC10H8N4OS
Molecular Weight232.27 g/mol
Exact Mass232.04
IUPAC Name5-(2-amino-1,3-thiazol-4-yl)-1,3-dihydrobenzimidazol-2-one
SMILESNc1nc(-c2ccc3[nH]c(=O)[nH]c3c2)cs1
InChIInChI=1S/C10H8N4OS/c11-9-12-8(4-16-9)5-1-2-6-7(3-5)14-10(15)13-6/h1-4H,(H2,11,12)(H2,13,14,15)
InChIKeyGQXIAVAXNQYTNM-UHFFFAOYSA-N
XLogP1.56
TPSA87.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.27
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-(2-Amino-1,3-thiazol-4-yl)phenyl)acetamide
CID 519881
2-Amino-4-(4-aminophenyl)thiazole
CID 605564
5-[2-(4-Fluoro-2-methylphenyl)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one
CID 73211783
N-Phenyl-N'-(4-phenyl-2-thiazolyl)urea
CID 832542
4-(3-Aminophenyl)-1,3-thiazol-2-amine
CID 236428
N-(4-methylphenyl)-N'-[4-(5-methyl-2-thienyl)-1,3-thiazol-2-yl]urea
CID 1223803
2-[4-[3-[(4-Amino-1-oxo-1,2,5-thiadiazol-3-yl)amino]phenyl]-1,3-thiazol-2-yl]guanidine
CID 44281115
3-[2-(dimethylamino)ethyl]-5-[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]-1H-benzimidazol-2-one
CID 73387296
N-[3-(2-Amino-4-thiazolyl)phenyl]acetamide
CID 2215374
5-(2-Amino-4-thiazolyl)-1,3-dihydro-2H-indol-2-one
CID 2608761
4-(4-(1-Pyrrolidinyl)Phenyl)-1,3-Thiazol-2-Ylamine
CID 18526123
1-(4-(3-Aminophenyl)thiazol-2-yl)guanidine
CID 14022509

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-1,3-thiazol-4-yl)-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-(2-amino-1,3-thiazol-4-yl)-1,3-dihydrobenzimidazol-2-one (CID 16642984) is 5-(2-amino-1,3-thiazol-4-yl)-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-(2-amino-1,3-thiazol-4-yl)-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-(2-amino-1,3-thiazol-4-yl)-1,3-dihydrobenzimidazol-2-one is Nc1nc(-c2ccc3[nH]c(=O)[nH]c3c2)cs1.
What is the InChIKey of 5-(2-amino-1,3-thiazol-4-yl)-1,3-dihydrobenzimidazol-2-one?
The InChIKey is GQXIAVAXNQYTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4OS/c11-9-12-8(4-16-9)5-1-2-6-7(3-5)14-10(15)13-6/h1-4H,(H2,11,12)(H2,13,14,15).
What are the key properties of 5-(2-amino-1,3-thiazol-4-yl)-1,3-dihydrobenzimidazol-2-one?
5-(2-amino-1,3-thiazol-4-yl)-1,3-dihydrobenzimidazol-2-one has a molecular weight of 232.27 g/mol, XLogP of 1.56, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-1,3-thiazol-4-yl)-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 16642984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).