N-[(1R,2S,5S)-2-[(6-chloroquinazoline-2-carbonyl)amino]-5-(dimethylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide

C26H30ClN7O3S — CID 44520923

IUPACN-[(1R,2S,5S)-2-[(6-chloroquinazoline-2-carbonyl)amino]-5-(dimethylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
SMILESCN1CCc2nc(C(=O)N[C@@H]3C[C@@H](C(=O)N(C)C)CC[C@@H]3NC(=O)c3ncc4cc(Cl)ccc4n3)sc2C1
InChIInChI=1S/C26H30ClN7O3S/c1-33(2)26(37)14-4-6-18(30-23(35)22-28-12-15-10-16(27)5-7-17(15)29-22)20(11-14)31-24(36)25-32-19-8-9-34(3)13-21(19)38-25/h5,7,10,12,14,18,20H,4,6,8-9,11,13H2,1-3H3,(H,30,35)(H,31,36)/t14-,18-,20+/m0/s1
InChIKeyCYEYXDKPFTXXAG-ADLFWFRXSA-N
MW556.09 g/mol
LogP2.51
Rot. Bonds5

About N-[(1R,2S,5S)-2-[(6-chloroquinazoline-2-carbonyl)amino]-5-(dimethylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide

N-[(1R,2S,5S)-2-[(6-chloroquinazoline-2-carbonyl)amino]-5-(dimethylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (PubChem CID 44520923) has the molecular formula C26H30ClN7O3S and a molecular weight of 556.09 g/mol. Its IUPAC name is N-[(1R,2S,5S)-2-[(6-chloroquinazoline-2-carbonyl)amino]-5-(dimethylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S,5S)-2-[(6-chloroquinazoline-2-carbonyl)amino]-5-(dimethylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
PubChem CID44520923
Molecular FormulaC26H30ClN7O3S
Molecular Weight556.09 g/mol
Exact Mass555.18
IUPAC NameN-[(1R,2S,5S)-2-[(6-chloroquinazoline-2-carbonyl)amino]-5-(dimethylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
SMILESCN1CCc2nc(C(=O)N[C@@H]3C[C@@H](C(=O)N(C)C)CC[C@@H]3NC(=O)c3ncc4cc(Cl)ccc4n3)sc2C1
InChIInChI=1S/C26H30ClN7O3S/c1-33(2)26(37)14-4-6-18(30-23(35)22-28-12-15-10-16(27)5-7-17(15)29-22)20(11-14)31-24(36)25-32-19-8-9-34(3)13-21(19)38-25/h5,7,10,12,14,18,20H,4,6,8-9,11,13H2,1-3H3,(H,30,35)(H,31,36)/t14-,18-,20+/m0/s1
InChIKeyCYEYXDKPFTXXAG-ADLFWFRXSA-N
XLogP2.51
TPSA120.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.09
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[(1R,2S,5S)-2-[(6-chloroquinazoline-2-carbonyl)amino]-5-(dimethylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,5S)-2-[(6-chloroquinazoline-2-carbonyl)amino]-5-(dimethylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The IUPAC name of N-[(1R,2S,5S)-2-[(6-chloroquinazoline-2-carbonyl)amino]-5-(dimethylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (CID 44520923) is N-[(1R,2S,5S)-2-[(6-chloroquinazoline-2-carbonyl)amino]-5-(dimethylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[(1R,2S,5S)-2-[(6-chloroquinazoline-2-carbonyl)amino]-5-(dimethylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The canonical SMILES for N-[(1R,2S,5S)-2-[(6-chloroquinazoline-2-carbonyl)amino]-5-(dimethylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is CN1CCc2nc(C(=O)N[C@@H]3C[C@@H](C(=O)N(C)C)CC[C@@H]3NC(=O)c3ncc4cc(Cl)ccc4n3)sc2C1.
What is the InChIKey of N-[(1R,2S,5S)-2-[(6-chloroquinazoline-2-carbonyl)amino]-5-(dimethylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The InChIKey is CYEYXDKPFTXXAG-ADLFWFRXSA-N. The full InChI is InChI=1S/C26H30ClN7O3S/c1-33(2)26(37)14-4-6-18(30-23(35)22-28-12-15-10-16(27)5-7-17(15)29-22)20(11-14)31-24(36)25-32-19-8-9-34(3)13-21(19)38-25/h5,7,10,12,14,18,20H,4,6,8-9,11,13H2,1-3H3,(H,30,35)(H,31,36)/t14-,18-,20+/m0/s1.
What are the key properties of N-[(1R,2S,5S)-2-[(6-chloroquinazoline-2-carbonyl)amino]-5-(dimethylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
N-[(1R,2S,5S)-2-[(6-chloroquinazoline-2-carbonyl)amino]-5-(dimethylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide has a molecular weight of 556.09 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,5S)-2-[(6-chloroquinazoline-2-carbonyl)amino]-5-(dimethylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 44520923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).