1-[3-[(4-methylpiperidin-1-yl)methyl]phenyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea

C22H25N5OS — CID 58824770

IUPAC1-[3-[(4-methylpiperidin-1-yl)methyl]phenyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea
SMILESCC1CCN(Cc2cccc(NC(=O)Nc3csc(-c4ccncc4)n3)c2)CC1
InChIInChI=1S/C22H25N5OS/c1-16-7-11-27(12-8-16)14-17-3-2-4-19(13-17)24-22(28)26-20-15-29-21(25-20)18-5-9-23-10-6-18/h2-6,9-10,13,15-16H,7-8,11-12,14H2,1H3,(H2,24,26,28)
InChIKeyUNXWUGOCXOOTTE-UHFFFAOYSA-N
MW407.54 g/mol
LogP5.08
Rot. Bonds5

About 1-[3-[(4-methylpiperidin-1-yl)methyl]phenyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea

1-[3-[(4-methylpiperidin-1-yl)methyl]phenyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea (PubChem CID 58824770) has the molecular formula C22H25N5OS and a molecular weight of 407.54 g/mol. Its IUPAC name is 1-[3-[(4-methylpiperidin-1-yl)methyl]phenyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea.

Molecular Properties

Compound Name1-[3-[(4-methylpiperidin-1-yl)methyl]phenyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea
PubChem CID58824770
Molecular FormulaC22H25N5OS
Molecular Weight407.54 g/mol
Exact Mass407.18
IUPAC Name1-[3-[(4-methylpiperidin-1-yl)methyl]phenyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea
SMILESCC1CCN(Cc2cccc(NC(=O)Nc3csc(-c4ccncc4)n3)c2)CC1
InChIInChI=1S/C22H25N5OS/c1-16-7-11-27(12-8-16)14-17-3-2-4-19(13-17)24-22(28)26-20-15-29-21(25-20)18-5-9-23-10-6-18/h2-6,9-10,13,15-16H,7-8,11-12,14H2,1H3,(H2,24,26,28)
InChIKeyUNXWUGOCXOOTTE-UHFFFAOYSA-N
XLogP5.08
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.54
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[3-[(4-methylpiperidin-1-yl)methyl]phenyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea with MolForge

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Related Compounds

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-[6-[[4-(2-hydroxyethylamino)piperidin-1-yl]methyl]-2-pyridinyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea
CID 18772153
5-(4-chlorophenyl)-N-[3-[(4-methylpiperidin-1-yl)methyl]phenyl]-1,2-oxazole-3-carboxamide
CID 46952038
1-(6-methyl-2-pyridinyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea
CID 18771694
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
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-(1,3-oxazinan-3-ylmethyl)-2-pyridinyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea
CID 59922335
1-(6-bromo-2-pyridinyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea
CID 23109079
ethyl 1-[[6-[(2-pyridin-4-yl-1,3-thiazol-4-yl)carbamoylamino]-2-pyridinyl]methyl]piperidine-3-carboxylate;hydrochloride
CID 18771747
methane;1-[6-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea
CID 159301602
1-(4-methyl-1,3-thiazol-2-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea
CID 59922340
1-[6-[(3-hydroxypropylamino)methyl]-2-pyridinyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea
CID 18771665

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-methylpiperidin-1-yl)methyl]phenyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea?
The IUPAC name of 1-[3-[(4-methylpiperidin-1-yl)methyl]phenyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea (CID 58824770) is 1-[3-[(4-methylpiperidin-1-yl)methyl]phenyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea.
What is the SMILES notation for 1-[3-[(4-methylpiperidin-1-yl)methyl]phenyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea?
The canonical SMILES for 1-[3-[(4-methylpiperidin-1-yl)methyl]phenyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea is CC1CCN(Cc2cccc(NC(=O)Nc3csc(-c4ccncc4)n3)c2)CC1.
What is the InChIKey of 1-[3-[(4-methylpiperidin-1-yl)methyl]phenyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea?
The InChIKey is UNXWUGOCXOOTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5OS/c1-16-7-11-27(12-8-16)14-17-3-2-4-19(13-17)24-22(28)26-20-15-29-21(25-20)18-5-9-23-10-6-18/h2-6,9-10,13,15-16H,7-8,11-12,14H2,1H3,(H2,24,26,28).
What are the key properties of 1-[3-[(4-methylpiperidin-1-yl)methyl]phenyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea?
1-[3-[(4-methylpiperidin-1-yl)methyl]phenyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea has a molecular weight of 407.54 g/mol, XLogP of 5.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-methylpiperidin-1-yl)methyl]phenyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea is sourced from PubChem (CID 58824770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).