1-[2-(2-methoxy-4-methylphenyl)-1,3-thiazol-4-yl]-3-[6-(piperidin-1-ylmethyl)-2-pyridinyl]urea;hydrate

C23H29N5O3S — CID 159246394

IUPAC1-[2-(2-methoxy-4-methylphenyl)-1,3-thiazol-4-yl]-3-[6-(piperidin-1-ylmethyl)-2-pyridinyl]urea;hydrate
SMILESCOc1cc(C)ccc1-c1nc(NC(=O)Nc2cccc(CN3CCCCC3)n2)cs1.O
InChIInChI=1S/C23H27N5O2S.H2O/c1-16-9-10-18(19(13-16)30-2)22-25-21(15-31-22)27-23(29)26-20-8-6-7-17(24-20)14-28-11-4-3-5-12-28;/h6-10,13,15H,3-5,11-12,14H2,1-2H3,(H2,24,26,27,29);1H2
InChIKeyIDNFYHUUZXAECD-UHFFFAOYSA-N
MW455.58 g/mol
LogP4.33
Rot. Bonds6

About 1-[2-(2-methoxy-4-methylphenyl)-1,3-thiazol-4-yl]-3-[6-(piperidin-1-ylmethyl)-2-pyridinyl]urea;hydrate

1-[2-(2-methoxy-4-methylphenyl)-1,3-thiazol-4-yl]-3-[6-(piperidin-1-ylmethyl)-2-pyridinyl]urea;hydrate (PubChem CID 159246394) has the molecular formula C23H29N5O3S and a molecular weight of 455.58 g/mol. Its IUPAC name is 1-[2-(2-methoxy-4-methylphenyl)-1,3-thiazol-4-yl]-3-[6-(piperidin-1-ylmethyl)-2-pyridinyl]urea;hydrate.

Molecular Properties

Compound Name1-[2-(2-methoxy-4-methylphenyl)-1,3-thiazol-4-yl]-3-[6-(piperidin-1-ylmethyl)-2-pyridinyl]urea;hydrate
PubChem CID159246394
Molecular FormulaC23H29N5O3S
Molecular Weight455.58 g/mol
Exact Mass455.20
IUPAC Name1-[2-(2-methoxy-4-methylphenyl)-1,3-thiazol-4-yl]-3-[6-(piperidin-1-ylmethyl)-2-pyridinyl]urea;hydrate
SMILESCOc1cc(C)ccc1-c1nc(NC(=O)Nc2cccc(CN3CCCCC3)n2)cs1.O
InChIInChI=1S/C23H27N5O2S.H2O/c1-16-9-10-18(19(13-16)30-2)22-25-21(15-31-22)27-23(29)26-20-8-6-7-17(24-20)14-28-11-4-3-5-12-28;/h6-10,13,15H,3-5,11-12,14H2,1-2H3,(H2,24,26,27,29);1H2
InChIKeyIDNFYHUUZXAECD-UHFFFAOYSA-N
XLogP4.33
TPSA110.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.58
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[2-(2-methoxy-4-methylphenyl)-1,3-thiazol-4-yl]-3-[6-(piperidin-1-ylmethyl)-2-pyridinyl]urea;hydrate 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-(2-methoxy-4-methylphenyl)-1,3-thiazol-4-yl]-3-[6-(piperidin-1-ylmethyl)-2-pyridinyl]urea
CID 59922332
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
1-[2-(2-methoxy-4-pyridinyl)-1,3-thiazol-4-yl]-3-[6-(morpholin-4-ylmethyl)-2-pyridinyl]urea
CID 18771618
1-(2-pyridin-4-yl-1,3-thiazol-4-yl)-3-[6-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]-2-pyridinyl]urea
CID 18771874
ethyl 1-[[6-[(2-pyridin-4-yl-1,3-thiazol-4-yl)carbamoylamino]-2-pyridinyl]methyl]piperidine-3-carboxylate;hydrochloride
CID 18771747
1-[6-(1,3-oxazinan-3-ylmethyl)-2-pyridinyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea
CID 59922335
N,N-diethyl-1-[[6-[(2-pyridin-4-yl-1,3-thiazol-4-yl)carbamoylamino]-2-pyridinyl]methyl]piperidine-3-carboxamide
CID 18771721
1-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-2-pyridinyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea
CID 18772005
1-[6-[[4-(2-hydroxyethylamino)piperidin-1-yl]methyl]-2-pyridinyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea
CID 18772153
4-(azocan-1-ylmethyl)-2-[3-(2,3,4-trimethoxyphenyl)phenyl]-1,3-thiazole
CID 46100892
1-[2-(1,2-dihydropyridin-4-yl)-1,3-thiazol-4-yl]-3-[6-[(2-methylimidazol-1-yl)methyl]-2-pyridinyl]urea
CID 142276154

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxy-4-methylphenyl)-1,3-thiazol-4-yl]-3-[6-(piperidin-1-ylmethyl)-2-pyridinyl]urea;hydrate?
The IUPAC name of 1-[2-(2-methoxy-4-methylphenyl)-1,3-thiazol-4-yl]-3-[6-(piperidin-1-ylmethyl)-2-pyridinyl]urea;hydrate (CID 159246394) is 1-[2-(2-methoxy-4-methylphenyl)-1,3-thiazol-4-yl]-3-[6-(piperidin-1-ylmethyl)-2-pyridinyl]urea;hydrate.
What is the SMILES notation for 1-[2-(2-methoxy-4-methylphenyl)-1,3-thiazol-4-yl]-3-[6-(piperidin-1-ylmethyl)-2-pyridinyl]urea;hydrate?
The canonical SMILES for 1-[2-(2-methoxy-4-methylphenyl)-1,3-thiazol-4-yl]-3-[6-(piperidin-1-ylmethyl)-2-pyridinyl]urea;hydrate is COc1cc(C)ccc1-c1nc(NC(=O)Nc2cccc(CN3CCCCC3)n2)cs1.O.
What is the InChIKey of 1-[2-(2-methoxy-4-methylphenyl)-1,3-thiazol-4-yl]-3-[6-(piperidin-1-ylmethyl)-2-pyridinyl]urea;hydrate?
The InChIKey is IDNFYHUUZXAECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2S.H2O/c1-16-9-10-18(19(13-16)30-2)22-25-21(15-31-22)27-23(29)26-20-8-6-7-17(24-20)14-28-11-4-3-5-12-28;/h6-10,13,15H,3-5,11-12,14H2,1-2H3,(H2,24,26,27,29);1H2.
What are the key properties of 1-[2-(2-methoxy-4-methylphenyl)-1,3-thiazol-4-yl]-3-[6-(piperidin-1-ylmethyl)-2-pyridinyl]urea;hydrate?
1-[2-(2-methoxy-4-methylphenyl)-1,3-thiazol-4-yl]-3-[6-(piperidin-1-ylmethyl)-2-pyridinyl]urea;hydrate has a molecular weight of 455.58 g/mol, XLogP of 4.33, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxy-4-methylphenyl)-1,3-thiazol-4-yl]-3-[6-(piperidin-1-ylmethyl)-2-pyridinyl]urea;hydrate is sourced from PubChem (CID 159246394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).