1-(2-phenyl-4,5-dihydro-1,3-thiazol-4-yl)-3-[6-(piperidin-1-ylmethyl)-2-pyridinyl]urea

C21H25N5OS — CID 71207215

IUPAC1-(2-phenyl-4,5-dihydro-1,3-thiazol-4-yl)-3-[6-(piperidin-1-ylmethyl)-2-pyridinyl]urea
SMILESO=C(Nc1cccc(CN2CCCCC2)n1)NC1CSC(c2ccccc2)=N1
InChIInChI=1S/C21H25N5OS/c27-21(25-19-15-28-20(23-19)16-8-3-1-4-9-16)24-18-11-7-10-17(22-18)14-26-12-5-2-6-13-26/h1,3-4,7-11,19H,2,5-6,12-15H2,(H2,22,24,25,27)
InChIKeyBFAFLSYQJVACDO-UHFFFAOYSA-N
MW395.53 g/mol
LogP3.71
Rot. Bonds5

About 1-(2-phenyl-4,5-dihydro-1,3-thiazol-4-yl)-3-[6-(piperidin-1-ylmethyl)-2-pyridinyl]urea

1-(2-phenyl-4,5-dihydro-1,3-thiazol-4-yl)-3-[6-(piperidin-1-ylmethyl)-2-pyridinyl]urea (PubChem CID 71207215) has the molecular formula C21H25N5OS and a molecular weight of 395.53 g/mol. Its IUPAC name is 1-(2-phenyl-4,5-dihydro-1,3-thiazol-4-yl)-3-[6-(piperidin-1-ylmethyl)-2-pyridinyl]urea.

Molecular Properties

Compound Name1-(2-phenyl-4,5-dihydro-1,3-thiazol-4-yl)-3-[6-(piperidin-1-ylmethyl)-2-pyridinyl]urea
PubChem CID71207215
Molecular FormulaC21H25N5OS
Molecular Weight395.53 g/mol
Exact Mass395.18
IUPAC Name1-(2-phenyl-4,5-dihydro-1,3-thiazol-4-yl)-3-[6-(piperidin-1-ylmethyl)-2-pyridinyl]urea
SMILESO=C(Nc1cccc(CN2CCCCC2)n1)NC1CSC(c2ccccc2)=N1
InChIInChI=1S/C21H25N5OS/c27-21(25-19-15-28-20(23-19)16-8-3-1-4-9-16)24-18-11-7-10-17(22-18)14-26-12-5-2-6-13-26/h1,3-4,7-11,19H,2,5-6,12-15H2,(H2,22,24,25,27)
InChIKeyBFAFLSYQJVACDO-UHFFFAOYSA-N
XLogP3.71
TPSA69.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(2-phenyl-4,5-dihydro-1,3-thiazol-4-yl)-3-[6-(piperidin-1-ylmethyl)-2-pyridinyl]urea with MolForge

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Related Compounds

1-[6-(azepan-1-ylmethyl)-2-pyridinyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea;hydrochloride
CID 69410895
1-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-3-[6-(piperidin-1-ylmethyl)-2-pyridinyl]urea
CID 18771919
2-pyridin-3-yl-N-[6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]quinoline-8-carboxamide
CID 58154715
6-(azepan-1-ylmethyl)pyridine-2-carboxylic acid
CID 106903922
1-(2-pyridin-4-yl-1,3-thiazol-4-yl)-3-[6-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]-2-pyridinyl]urea
CID 18771874
1-[2-(2-methoxy-4-methylphenyl)-1,3-thiazol-4-yl]-3-[6-(piperidin-1-ylmethyl)-2-pyridinyl]urea
CID 59922332
6-(pyrrolidin-1-ylmethyl)pyridine-2-carboxylic acid;dihydrochloride
CID 56773487
N-[6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-2-[3-(trifluoromethyl)phenyl]quinoline-8-carboxamide
CID 58154750
1-[2-(2-methoxy-4-methylphenyl)-1,3-thiazol-4-yl]-3-[6-(piperidin-1-ylmethyl)-2-pyridinyl]urea;hydrate
CID 159246394
6-(piperidin-1-ylmethyl)pyridine-2-carboxamide
CID 66911251
[6-(azetidin-1-ylmethyl)-2-pyridinyl]hydrazine
CID 126980714
1-[6-(1,3-oxazinan-3-ylmethyl)-2-pyridinyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea
CID 59922335

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenyl-4,5-dihydro-1,3-thiazol-4-yl)-3-[6-(piperidin-1-ylmethyl)-2-pyridinyl]urea?
The IUPAC name of 1-(2-phenyl-4,5-dihydro-1,3-thiazol-4-yl)-3-[6-(piperidin-1-ylmethyl)-2-pyridinyl]urea (CID 71207215) is 1-(2-phenyl-4,5-dihydro-1,3-thiazol-4-yl)-3-[6-(piperidin-1-ylmethyl)-2-pyridinyl]urea.
What is the SMILES notation for 1-(2-phenyl-4,5-dihydro-1,3-thiazol-4-yl)-3-[6-(piperidin-1-ylmethyl)-2-pyridinyl]urea?
The canonical SMILES for 1-(2-phenyl-4,5-dihydro-1,3-thiazol-4-yl)-3-[6-(piperidin-1-ylmethyl)-2-pyridinyl]urea is O=C(Nc1cccc(CN2CCCCC2)n1)NC1CSC(c2ccccc2)=N1.
What is the InChIKey of 1-(2-phenyl-4,5-dihydro-1,3-thiazol-4-yl)-3-[6-(piperidin-1-ylmethyl)-2-pyridinyl]urea?
The InChIKey is BFAFLSYQJVACDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5OS/c27-21(25-19-15-28-20(23-19)16-8-3-1-4-9-16)24-18-11-7-10-17(22-18)14-26-12-5-2-6-13-26/h1,3-4,7-11,19H,2,5-6,12-15H2,(H2,22,24,25,27).
What are the key properties of 1-(2-phenyl-4,5-dihydro-1,3-thiazol-4-yl)-3-[6-(piperidin-1-ylmethyl)-2-pyridinyl]urea?
1-(2-phenyl-4,5-dihydro-1,3-thiazol-4-yl)-3-[6-(piperidin-1-ylmethyl)-2-pyridinyl]urea has a molecular weight of 395.53 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenyl-4,5-dihydro-1,3-thiazol-4-yl)-3-[6-(piperidin-1-ylmethyl)-2-pyridinyl]urea is sourced from PubChem (CID 71207215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).