2-amino-4-[4-[(sulfinatoamino)methyl]phenyl]-1,3-thiazole

C10H10N3O2S2- — CID 174235291

IUPAC2-amino-4-[4-[(sulfinatoamino)methyl]phenyl]-1,3-thiazole
SMILESNc1nc(-c2ccc(CNS(=O)[O-])cc2)cs1
InChIInChI=1S/C10H11N3O2S2/c11-10-13-9(6-16-10)8-3-1-7(2-4-8)5-12-17(14)15/h1-4,6,12H,5H2,(H2,11,13)(H,14,15)/p-1
InChIKeyIRVXNNRJDIIQDO-UHFFFAOYSA-M
MW268.34 g/mol
LogP1.28
Rot. Bonds4

About 2-amino-4-[4-[(sulfinatoamino)methyl]phenyl]-1,3-thiazole

2-amino-4-[4-[(sulfinatoamino)methyl]phenyl]-1,3-thiazole (PubChem CID 174235291) has the molecular formula C10H10N3O2S2- and a molecular weight of 268.34 g/mol. Its IUPAC name is 2-amino-4-[4-[(sulfinatoamino)methyl]phenyl]-1,3-thiazole.

Molecular Properties

Compound Name2-amino-4-[4-[(sulfinatoamino)methyl]phenyl]-1,3-thiazole
PubChem CID174235291
Molecular FormulaC10H10N3O2S2-
Molecular Weight268.34 g/mol
Exact Mass268.02
IUPAC Name2-amino-4-[4-[(sulfinatoamino)methyl]phenyl]-1,3-thiazole
SMILESNc1nc(-c2ccc(CNS(=O)[O-])cc2)cs1
InChIInChI=1S/C10H11N3O2S2/c11-10-13-9(6-16-10)8-3-1-7(2-4-8)5-12-17(14)15/h1-4,6,12H,5H2,(H2,11,13)(H,14,15)/p-1
InChIKeyIRVXNNRJDIIQDO-UHFFFAOYSA-M
XLogP1.28
TPSA91.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(4-bromophenyl)phenyl]-1,3-thiazol-2-amine
CID 2756846
4-(2-amino-1,3-thiazol-4-yl)benzenesulfonic acid
CID 88812082
4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-amine
CID 18526481
4-[4-[(4-nitrophenyl)methoxy]phenyl]-1,3-thiazol-2-amine
CID 2801363
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]propanamide
CID 896768
methyl 4-(2-amino-1,3-thiazol-4-yl)benzoate
CID 2060012
ethane;4-phenyl-1,3-thiazol-2-amine
CID 91233366
1-ethynyl-4-[(sulfinatoamino)methyl]benzene
CID 90282258
4-(4-ethylsulfanylphenyl)-1,3-thiazol-2-amine
CID 3762953
2-amino-4-[3-[(2,4-difluorophenoxy)methyl]-4-(sulfinatoamino)phenyl]-1,3-thiazole
CID 57315685
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-phenylpropanamide
CID 28865127
2-[4-(2-amino-1,3-thiazol-4-yl)phenyl]ethyl-tert-butylcarbamic acid
CID 86620276

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[4-[(sulfinatoamino)methyl]phenyl]-1,3-thiazole?
The IUPAC name of 2-amino-4-[4-[(sulfinatoamino)methyl]phenyl]-1,3-thiazole (CID 174235291) is 2-amino-4-[4-[(sulfinatoamino)methyl]phenyl]-1,3-thiazole.
What is the SMILES notation for 2-amino-4-[4-[(sulfinatoamino)methyl]phenyl]-1,3-thiazole?
The canonical SMILES for 2-amino-4-[4-[(sulfinatoamino)methyl]phenyl]-1,3-thiazole is Nc1nc(-c2ccc(CNS(=O)[O-])cc2)cs1.
What is the InChIKey of 2-amino-4-[4-[(sulfinatoamino)methyl]phenyl]-1,3-thiazole?
The InChIKey is IRVXNNRJDIIQDO-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H11N3O2S2/c11-10-13-9(6-16-10)8-3-1-7(2-4-8)5-12-17(14)15/h1-4,6,12H,5H2,(H2,11,13)(H,14,15)/p-1.
What are the key properties of 2-amino-4-[4-[(sulfinatoamino)methyl]phenyl]-1,3-thiazole?
2-amino-4-[4-[(sulfinatoamino)methyl]phenyl]-1,3-thiazole has a molecular weight of 268.34 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[4-[(sulfinatoamino)methyl]phenyl]-1,3-thiazole is sourced from PubChem (CID 174235291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).