1-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea

C14H17ClN4O2S — CID 97073674

IUPAC1-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
SMILESCc1csc([C@@H](C)NC(=O)NCCOc2ncccc2Cl)n1
InChIInChI=1S/C14H17ClN4O2S/c1-9-8-22-13(18-9)10(2)19-14(20)17-6-7-21-12-11(15)4-3-5-16-12/h3-5,8,10H,6-7H2,1-2H3,(H2,17,19,20)/t10-/m1/s1
InChIKeyPALVPDWELYVHFJ-SNVBAGLBSA-N
MW340.84 g/mol
LogP2.94
Rot. Bonds6

About 1-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea

1-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea (PubChem CID 97073674) has the molecular formula C14H17ClN4O2S and a molecular weight of 340.84 g/mol. Its IUPAC name is 1-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
PubChem CID97073674
Molecular FormulaC14H17ClN4O2S
Molecular Weight340.84 g/mol
Exact Mass340.08
IUPAC Name1-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
SMILESCc1csc([C@@H](C)NC(=O)NCCOc2ncccc2Cl)n1
InChIInChI=1S/C14H17ClN4O2S/c1-9-8-22-13(18-9)10(2)19-14(20)17-6-7-21-12-11(15)4-3-5-16-12/h3-5,8,10H,6-7H2,1-2H3,(H2,17,19,20)/t10-/m1/s1
InChIKeyPALVPDWELYVHFJ-SNVBAGLBSA-N
XLogP2.94
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.84
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 71918299
1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 95269403
2-chloro-N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]benzamide
CID 74766924
N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-2-methylpropan-1-amine
CID 115876782
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 111119603
1-[[1-(2-methoxyethyl)cyclopentyl]methyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 71918300
2,2-dimethyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]propanoic acid
CID 113308289
2-[[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]methyl]butanoic acid
CID 65224255
(2R)-2-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]propanoic acid
CID 78995805
N-[4-[[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]carbamoylamino]phenyl]propanamide
CID 95311131
2-(2-methoxyethoxy)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 103642136
N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119900701

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea?
The IUPAC name of 1-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea (CID 97073674) is 1-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea.
What is the SMILES notation for 1-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea?
The canonical SMILES for 1-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea is Cc1csc([C@@H](C)NC(=O)NCCOc2ncccc2Cl)n1.
What is the InChIKey of 1-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea?
The InChIKey is PALVPDWELYVHFJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H17ClN4O2S/c1-9-8-22-13(18-9)10(2)19-14(20)17-6-7-21-12-11(15)4-3-5-16-12/h3-5,8,10H,6-7H2,1-2H3,(H2,17,19,20)/t10-/m1/s1.
What are the key properties of 1-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea?
1-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea has a molecular weight of 340.84 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea is sourced from PubChem (CID 97073674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).