5-methyl-N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide

C25H24N6O2S2 — CID 56601543

IUPAC5-methyl-N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
SMILESCc1sc(-c2ccncc2)nc1C(=O)NCc1cccc(C(=O)Nc2nc3c(s2)CN(C)CC3)c1
InChIInChI=1S/C25H24N6O2S2/c1-15-21(29-24(34-15)17-6-9-26-10-7-17)23(33)27-13-16-4-3-5-18(12-16)22(32)30-25-28-19-8-11-31(2)14-20(19)35-25/h3-7,9-10,12H,8,11,13-14H2,1-2H3,(H,27,33)(H,28,30,32)
InChIKeyPMBFIOYAOLROGC-UHFFFAOYSA-N
MW504.64 g/mol
LogP4.14
Rot. Bonds6

About 5-methyl-N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide

5-methyl-N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide (PubChem CID 56601543) has the molecular formula C25H24N6O2S2 and a molecular weight of 504.64 g/mol. Its IUPAC name is 5-methyl-N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
PubChem CID56601543
Molecular FormulaC25H24N6O2S2
Molecular Weight504.64 g/mol
Exact Mass504.14
IUPAC Name5-methyl-N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
SMILESCc1sc(-c2ccncc2)nc1C(=O)NCc1cccc(C(=O)Nc2nc3c(s2)CN(C)CC3)c1
InChIInChI=1S/C25H24N6O2S2/c1-15-21(29-24(34-15)17-6-9-26-10-7-17)23(33)27-13-16-4-3-5-18(12-16)22(32)30-25-28-19-8-11-31(2)14-20(19)35-25/h3-7,9-10,12H,8,11,13-14H2,1-2H3,(H,27,33)(H,28,30,32)
InChIKeyPMBFIOYAOLROGC-UHFFFAOYSA-N
XLogP4.14
TPSA100.11 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.64
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-methyl-N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide (CID 56601543) is 5-methyl-N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide is Cc1sc(-c2ccncc2)nc1C(=O)NCc1cccc(C(=O)Nc2nc3c(s2)CN(C)CC3)c1.
What is the InChIKey of 5-methyl-N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
The InChIKey is PMBFIOYAOLROGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O2S2/c1-15-21(29-24(34-15)17-6-9-26-10-7-17)23(33)27-13-16-4-3-5-18(12-16)22(32)30-25-28-19-8-11-31(2)14-20(19)35-25/h3-7,9-10,12H,8,11,13-14H2,1-2H3,(H,27,33)(H,28,30,32).
What are the key properties of 5-methyl-N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
5-methyl-N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide has a molecular weight of 504.64 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 56601543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).