N-[3-[2,4-dimethyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carbonylamino)phenyl]-2,6-dimethylphenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide

C30H32N6O2S2 — CID 139573519

IUPACN-[3-[2,4-dimethyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carbonylamino)phenyl]-2,6-dimethylphenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
SMILESCc1ccc(-c2ccc(C)c(NC(=O)c3nc4c(s3)CNCC4)c2C)c(C)c1NC(=O)c1nc2c(s1)CNCC2
InChIInChI=1S/C30H32N6O2S2/c1-15-5-7-19(17(3)25(15)35-27(37)29-33-21-9-11-31-13-23(21)39-29)20-8-6-16(2)26(18(20)4)36-28(38)30-34-22-10-12-32-14-24(22)40-30/h5-8,31-32H,9-14H2,1-4H3,(H,35,37)(H,36,38)
InChIKeyGGXNHBNSGBZZMD-UHFFFAOYSA-N
MW572.76 g/mol
LogP5.30
Rot. Bonds5

About N-[3-[2,4-dimethyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carbonylamino)phenyl]-2,6-dimethylphenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide

N-[3-[2,4-dimethyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carbonylamino)phenyl]-2,6-dimethylphenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (PubChem CID 139573519) has the molecular formula C30H32N6O2S2 and a molecular weight of 572.76 g/mol. Its IUPAC name is N-[3-[2,4-dimethyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carbonylamino)phenyl]-2,6-dimethylphenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[2,4-dimethyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carbonylamino)phenyl]-2,6-dimethylphenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
PubChem CID139573519
Molecular FormulaC30H32N6O2S2
Molecular Weight572.76 g/mol
Exact Mass572.20
IUPAC NameN-[3-[2,4-dimethyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carbonylamino)phenyl]-2,6-dimethylphenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
SMILESCc1ccc(-c2ccc(C)c(NC(=O)c3nc4c(s3)CNCC4)c2C)c(C)c1NC(=O)c1nc2c(s1)CNCC2
InChIInChI=1S/C30H32N6O2S2/c1-15-5-7-19(17(3)25(15)35-27(37)29-33-21-9-11-31-13-23(21)39-29)20-8-6-16(2)26(18(20)4)36-28(38)30-34-22-10-12-32-14-24(22)40-30/h5-8,31-32H,9-14H2,1-4H3,(H,35,37)(H,36,38)
InChIKeyGGXNHBNSGBZZMD-UHFFFAOYSA-N
XLogP5.30
TPSA108.04 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.76
LogP ≤ 55.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze N-[3-[2,4-dimethyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carbonylamino)phenyl]-2,6-dimethylphenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2,4-dimethyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carbonylamino)phenyl]-2,6-dimethylphenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The IUPAC name of N-[3-[2,4-dimethyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carbonylamino)phenyl]-2,6-dimethylphenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (CID 139573519) is N-[3-[2,4-dimethyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carbonylamino)phenyl]-2,6-dimethylphenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-[2,4-dimethyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carbonylamino)phenyl]-2,6-dimethylphenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The canonical SMILES for N-[3-[2,4-dimethyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carbonylamino)phenyl]-2,6-dimethylphenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is Cc1ccc(-c2ccc(C)c(NC(=O)c3nc4c(s3)CNCC4)c2C)c(C)c1NC(=O)c1nc2c(s1)CNCC2.
What is the InChIKey of N-[3-[2,4-dimethyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carbonylamino)phenyl]-2,6-dimethylphenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The InChIKey is GGXNHBNSGBZZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N6O2S2/c1-15-5-7-19(17(3)25(15)35-27(37)29-33-21-9-11-31-13-23(21)39-29)20-8-6-16(2)26(18(20)4)36-28(38)30-34-22-10-12-32-14-24(22)40-30/h5-8,31-32H,9-14H2,1-4H3,(H,35,37)(H,36,38).
What are the key properties of N-[3-[2,4-dimethyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carbonylamino)phenyl]-2,6-dimethylphenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
N-[3-[2,4-dimethyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carbonylamino)phenyl]-2,6-dimethylphenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide has a molecular weight of 572.76 g/mol, XLogP of 5.30, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2,4-dimethyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carbonylamino)phenyl]-2,6-dimethylphenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 139573519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).