(2-amino-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-(4-chlorophenyl)methanone

C12H10ClN3OS — CID 82194162

IUPAC(2-amino-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-(4-chlorophenyl)methanone
SMILESNc1nc2c(s1)CN(C(=O)c1ccc(Cl)cc1)C2
InChIInChI=1S/C12H10ClN3OS/c13-8-3-1-7(2-4-8)11(17)16-5-9-10(6-16)18-12(14)15-9/h1-4H,5-6H2,(H2,14,15)
InChIKeyHLVIALHVLWYOBP-UHFFFAOYSA-N
MW279.75 g/mol
LogP2.53
Rot. Bonds1

About (2-amino-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-(4-chlorophenyl)methanone

(2-amino-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-(4-chlorophenyl)methanone (PubChem CID 82194162) has the molecular formula C12H10ClN3OS and a molecular weight of 279.75 g/mol. Its IUPAC name is (2-amino-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-(4-chlorophenyl)methanone.

Molecular Properties

Compound Name(2-amino-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-(4-chlorophenyl)methanone
PubChem CID82194162
Molecular FormulaC12H10ClN3OS
Molecular Weight279.75 g/mol
Exact Mass279.02
IUPAC Name(2-amino-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-(4-chlorophenyl)methanone
SMILESNc1nc2c(s1)CN(C(=O)c1ccc(Cl)cc1)C2
InChIInChI=1S/C12H10ClN3OS/c13-8-3-1-7(2-4-8)11(17)16-5-9-10(6-16)18-12(14)15-9/h1-4H,5-6H2,(H2,14,15)
InChIKeyHLVIALHVLWYOBP-UHFFFAOYSA-N
XLogP2.53
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.75
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-1-(2-amino-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-3-(2-chlorophenyl)prop-2-en-1-one
CID 82194220
1-adamantyl-(2-amino-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)methanone
CID 82194200
(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanone
CID 56892412
1-(2-amino-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-2-ethylbutan-1-one
CID 82194154
N-[5-(4-chlorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide
CID 90531120
3-[2-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-1,1-difluoro-2-oxoethyl]-N-(3-chloro-4-fluorophenyl)-4-fluorobenzamide
CID 139301896
(4-chlorophenyl)-[2-(3,8-diazabicyclo[3.2.1]octan-8-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone
CID 170947397
1-(2-amino-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-2-(2-methoxyphenoxy)ethanone
CID 82194170
(4-chlorophenyl)-[2-cyclopropyl-4-(dimethylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone
CID 134410734
N-[5-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carbonyl)-2-methylphenyl]-3-methylthiophene-2-carboxamide
CID 172661454
(4-chlorophenyl)-[4-(1,2,5-thiadiazole-3-carbonyl)piperazin-1-yl]methanone
CID 87010277
3-[2-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-1,1-difluoro-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide
CID 139302369

Frequently Asked Questions

What is the IUPAC name of (2-amino-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-(4-chlorophenyl)methanone?
The IUPAC name of (2-amino-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-(4-chlorophenyl)methanone (CID 82194162) is (2-amino-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-(4-chlorophenyl)methanone.
What is the SMILES notation for (2-amino-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-(4-chlorophenyl)methanone?
The canonical SMILES for (2-amino-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-(4-chlorophenyl)methanone is Nc1nc2c(s1)CN(C(=O)c1ccc(Cl)cc1)C2.
What is the InChIKey of (2-amino-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-(4-chlorophenyl)methanone?
The InChIKey is HLVIALHVLWYOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3OS/c13-8-3-1-7(2-4-8)11(17)16-5-9-10(6-16)18-12(14)15-9/h1-4H,5-6H2,(H2,14,15).
What are the key properties of (2-amino-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-(4-chlorophenyl)methanone?
(2-amino-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-(4-chlorophenyl)methanone has a molecular weight of 279.75 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-(4-chlorophenyl)methanone is sourced from PubChem (CID 82194162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).