5-[2-(2-chlorophenyl)sulfanyl-6-methylpyrimidin-4-yl]-N-[5-[[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl]pyrazin-2-yl]-1,3-thiazol-2-amine

C25H27ClN8S2 — CID 59295263

IUPAC5-[2-(2-chlorophenyl)sulfanyl-6-methylpyrimidin-4-yl]-N-[5-[[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl]pyrazin-2-yl]-1,3-thiazol-2-amine
SMILESCc1cc(-c2cnc(Nc3cnc(CN4CC[C@H](N(C)C)C4)cn3)s2)nc(Sc2ccccc2Cl)n1
InChIInChI=1S/C25H27ClN8S2/c1-16-10-20(31-25(30-16)35-21-7-5-4-6-19(21)26)22-12-29-24(36-22)32-23-13-27-17(11-28-23)14-34-9-8-18(15-34)33(2)3/h4-7,10-13,18H,8-9,14-15H2,1-3H3,(H,28,29,32)/t18-/m0/s1
InChIKeyQMAIULVVBVUALV-SFHVURJKSA-N
MW539.13 g/mol
LogP5.38
Rot. Bonds8

About 5-[2-(2-chlorophenyl)sulfanyl-6-methylpyrimidin-4-yl]-N-[5-[[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl]pyrazin-2-yl]-1,3-thiazol-2-amine

5-[2-(2-chlorophenyl)sulfanyl-6-methylpyrimidin-4-yl]-N-[5-[[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl]pyrazin-2-yl]-1,3-thiazol-2-amine (PubChem CID 59295263) has the molecular formula C25H27ClN8S2 and a molecular weight of 539.13 g/mol. Its IUPAC name is 5-[2-(2-chlorophenyl)sulfanyl-6-methylpyrimidin-4-yl]-N-[5-[[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl]pyrazin-2-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[2-(2-chlorophenyl)sulfanyl-6-methylpyrimidin-4-yl]-N-[5-[[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl]pyrazin-2-yl]-1,3-thiazol-2-amine
PubChem CID59295263
Molecular FormulaC25H27ClN8S2
Molecular Weight539.13 g/mol
Exact Mass538.15
IUPAC Name5-[2-(2-chlorophenyl)sulfanyl-6-methylpyrimidin-4-yl]-N-[5-[[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl]pyrazin-2-yl]-1,3-thiazol-2-amine
SMILESCc1cc(-c2cnc(Nc3cnc(CN4CC[C@H](N(C)C)C4)cn3)s2)nc(Sc2ccccc2Cl)n1
InChIInChI=1S/C25H27ClN8S2/c1-16-10-20(31-25(30-16)35-21-7-5-4-6-19(21)26)22-12-29-24(36-22)32-23-13-27-17(11-28-23)14-34-9-8-18(15-34)33(2)3/h4-7,10-13,18H,8-9,14-15H2,1-3H3,(H,28,29,32)/t18-/m0/s1
InChIKeyQMAIULVVBVUALV-SFHVURJKSA-N
XLogP5.38
TPSA82.96 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.13
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 5-[2-(2-chlorophenyl)sulfanyl-6-methylpyrimidin-4-yl]-N-[5-[[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl]pyrazin-2-yl]-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 11849868
CID 11849868
CID 11849869
CID 11849869
CID 11849870
CID 11849870
CID 11850766
CID 11850766
CID 11850767
CID 11850767
CID 11850832
CID 11850832
CID 11850894
CID 11850894
CID 126534285
CID 126534285
CID 126534409
CID 126534409
CID 126535157
CID 126535157
CID 135286395
CID 135286395
CID 135296339
CID 135296339

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-chlorophenyl)sulfanyl-6-methylpyrimidin-4-yl]-N-[5-[[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl]pyrazin-2-yl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[2-(2-chlorophenyl)sulfanyl-6-methylpyrimidin-4-yl]-N-[5-[[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl]pyrazin-2-yl]-1,3-thiazol-2-amine (CID 59295263) is 5-[2-(2-chlorophenyl)sulfanyl-6-methylpyrimidin-4-yl]-N-[5-[[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl]pyrazin-2-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[2-(2-chlorophenyl)sulfanyl-6-methylpyrimidin-4-yl]-N-[5-[[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl]pyrazin-2-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[2-(2-chlorophenyl)sulfanyl-6-methylpyrimidin-4-yl]-N-[5-[[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl]pyrazin-2-yl]-1,3-thiazol-2-amine is Cc1cc(-c2cnc(Nc3cnc(CN4CC[C@H](N(C)C)C4)cn3)s2)nc(Sc2ccccc2Cl)n1.
What is the InChIKey of 5-[2-(2-chlorophenyl)sulfanyl-6-methylpyrimidin-4-yl]-N-[5-[[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl]pyrazin-2-yl]-1,3-thiazol-2-amine?
The InChIKey is QMAIULVVBVUALV-SFHVURJKSA-N. The full InChI is InChI=1S/C25H27ClN8S2/c1-16-10-20(31-25(30-16)35-21-7-5-4-6-19(21)26)22-12-29-24(36-22)32-23-13-27-17(11-28-23)14-34-9-8-18(15-34)33(2)3/h4-7,10-13,18H,8-9,14-15H2,1-3H3,(H,28,29,32)/t18-/m0/s1.
What are the key properties of 5-[2-(2-chlorophenyl)sulfanyl-6-methylpyrimidin-4-yl]-N-[5-[[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl]pyrazin-2-yl]-1,3-thiazol-2-amine?
5-[2-(2-chlorophenyl)sulfanyl-6-methylpyrimidin-4-yl]-N-[5-[[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl]pyrazin-2-yl]-1,3-thiazol-2-amine has a molecular weight of 539.13 g/mol, XLogP of 5.38, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-chlorophenyl)sulfanyl-6-methylpyrimidin-4-yl]-N-[5-[[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl]pyrazin-2-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 59295263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).