N-[5-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-morpholin-4-ylpropanamide

C25H29ClN6O2S — CID 118684796

IUPACN-[5-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-morpholin-4-ylpropanamide
SMILESCc1cnc(-c2cc(N3CCc4nc(NC(=O)CCN5CCOCC5)sc4C3)ncc2Cl)c(C)c1
InChIInChI=1S/C25H29ClN6O2S/c1-16-11-17(2)24(28-13-16)18-12-22(27-14-19(18)26)32-6-3-20-21(15-32)35-25(29-20)30-23(33)4-5-31-7-9-34-10-8-31/h11-14H,3-10,15H2,1-2H3,(H,29,30,33)
InChIKeyYBTSRIMAEMXGGU-UHFFFAOYSA-N
MW513.07 g/mol
LogP4.09
Rot. Bonds6

About N-[5-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-morpholin-4-ylpropanamide

N-[5-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-morpholin-4-ylpropanamide (PubChem CID 118684796) has the molecular formula C25H29ClN6O2S and a molecular weight of 513.07 g/mol. Its IUPAC name is N-[5-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-morpholin-4-ylpropanamide.

Molecular Properties

Compound NameN-[5-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-morpholin-4-ylpropanamide
PubChem CID118684796
Molecular FormulaC25H29ClN6O2S
Molecular Weight513.07 g/mol
Exact Mass512.18
IUPAC NameN-[5-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-morpholin-4-ylpropanamide
SMILESCc1cnc(-c2cc(N3CCc4nc(NC(=O)CCN5CCOCC5)sc4C3)ncc2Cl)c(C)c1
InChIInChI=1S/C25H29ClN6O2S/c1-16-11-17(2)24(28-13-16)18-12-22(27-14-19(18)26)32-6-3-20-21(15-32)35-25(29-20)30-23(33)4-5-31-7-9-34-10-8-31/h11-14H,3-10,15H2,1-2H3,(H,29,30,33)
InChIKeyYBTSRIMAEMXGGU-UHFFFAOYSA-N
XLogP4.09
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.07
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[5-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-morpholin-4-ylpropanamide with MolForge

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Launch Full Analysis

Related Compounds

ethyl N-[6-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-7,8-dihydro-5H-1,6-naphthyridin-2-yl]carbamate
CID 77107010
N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-morpholin-4-ylacetamide
CID 110444203
N-(2-chloro-4,6-dimethylphenyl)-3-morpholin-4-ylpropanamide
CID 110688490
1-[4-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]-3-hydroxypropan-1-one
CID 67508477
1-[4-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]-2-hydroxyethanone
CID 67508530
N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-[4-(morpholin-4-ylmethyl)phenoxy]acetamide
CID 46978487
1-[5-[2-chloro-6-(morpholine-4-carbonyl)pyrimidin-4-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-methylurea
CID 58440784
N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-3-(4-methylpyrazol-1-yl)propanamide
CID 86832668
N-(6-chloro-1,3-benzothiazol-2-yl)-3-morpholin-4-ylpropanamide
CID 110688525
N-(4-methyl-1,3-thiazol-2-yl)-3-morpholin-4-ylpropanamide
CID 100975758
N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 35978089
2-(3,4-dichlorophenyl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
CID 2467084

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-morpholin-4-ylpropanamide?
The IUPAC name of N-[5-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-morpholin-4-ylpropanamide (CID 118684796) is N-[5-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-morpholin-4-ylpropanamide.
What is the SMILES notation for N-[5-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-morpholin-4-ylpropanamide?
The canonical SMILES for N-[5-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-morpholin-4-ylpropanamide is Cc1cnc(-c2cc(N3CCc4nc(NC(=O)CCN5CCOCC5)sc4C3)ncc2Cl)c(C)c1.
What is the InChIKey of N-[5-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-morpholin-4-ylpropanamide?
The InChIKey is YBTSRIMAEMXGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN6O2S/c1-16-11-17(2)24(28-13-16)18-12-22(27-14-19(18)26)32-6-3-20-21(15-32)35-25(29-20)30-23(33)4-5-31-7-9-34-10-8-31/h11-14H,3-10,15H2,1-2H3,(H,29,30,33).
What are the key properties of N-[5-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-morpholin-4-ylpropanamide?
N-[5-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-morpholin-4-ylpropanamide has a molecular weight of 513.07 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-morpholin-4-ylpropanamide is sourced from PubChem (CID 118684796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).