1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-3-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)urea

C17H20N4O2S — CID 138054203

IUPAC1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-3-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)urea
SMILESO=C(NCCc1nc2c(s1)CCC2)Nc1cnc2c(c1)COCC2
InChIInChI=1S/C17H20N4O2S/c22-17(18-6-4-16-21-14-2-1-3-15(14)24-16)20-12-8-11-10-23-7-5-13(11)19-9-12/h8-9H,1-7,10H2,(H2,18,20,22)
InChIKeyFNZNLGUXNDOMAX-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.46
Rot. Bonds4

About 1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-3-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)urea

1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-3-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)urea (PubChem CID 138054203) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is 1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-3-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)urea.

Molecular Properties

Compound Name1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-3-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)urea
PubChem CID138054203
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC Name1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-3-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)urea
SMILESO=C(NCCc1nc2c(s1)CCC2)Nc1cnc2c(c1)COCC2
InChIInChI=1S/C17H20N4O2S/c22-17(18-6-4-16-21-14-2-1-3-15(14)24-16)20-12-8-11-10-23-7-5-13(11)19-9-12/h8-9H,1-7,10H2,(H2,18,20,22)
InChIKeyFNZNLGUXNDOMAX-UHFFFAOYSA-N
XLogP2.46
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-3-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)urea 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

1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea
CID 118779170
1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-3-(3-methyltriazol-4-yl)urea
CID 138025249
N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]furan-2-carboxamide
CID 110461158
2-(1,3-benzodioxol-5-yl)-N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]acetamide
CID 91769312
1-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]urea
CID 72876865
1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-3-[2-(dimethylamino)-6-methyl-3-pyridinyl]urea
CID 138028016
1-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-3-[(5-ethyl-3-methyl-1,2-oxazol-4-yl)methyl]urea
CID 138054205
N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-1H-imidazole-2-carboxamide
CID 110466591
2-chloro-N-[2-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)ethyl]acetamide
CID 146103293
ethyl N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]carbamate
CID 110460548
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]acetamide
CID 50966305
1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-3-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea
CID 118764908

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-3-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)urea?
The IUPAC name of 1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-3-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)urea (CID 138054203) is 1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-3-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)urea.
What is the SMILES notation for 1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-3-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)urea?
The canonical SMILES for 1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-3-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)urea is O=C(NCCc1nc2c(s1)CCC2)Nc1cnc2c(c1)COCC2.
What is the InChIKey of 1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-3-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)urea?
The InChIKey is FNZNLGUXNDOMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c22-17(18-6-4-16-21-14-2-1-3-15(14)24-16)20-12-8-11-10-23-7-5-13(11)19-9-12/h8-9H,1-7,10H2,(H2,18,20,22).
What are the key properties of 1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-3-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)urea?
1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-3-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)urea has a molecular weight of 344.44 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-3-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)urea is sourced from PubChem (CID 138054203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).