1-[cyclopropyl-(4-methylphenyl)methyl]-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea

C20H20N4OS — CID 78875119

IUPAC1-[cyclopropyl-(4-methylphenyl)methyl]-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea
SMILESCc1ccc(C(NC(=O)Nc2nc(-c3cccnc3)cs2)C2CC2)cc1
InChIInChI=1S/C20H20N4OS/c1-13-4-6-14(7-5-13)18(15-8-9-15)23-19(25)24-20-22-17(12-26-20)16-3-2-10-21-11-16/h2-7,10-12,15,18H,8-9H2,1H3,(H2,22,23,24,25)
InChIKeyWJBXBNSKDNVLRP-UHFFFAOYSA-N
MW364.47 g/mol
LogP4.79
Rot. Bonds5

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

1-[cyclopropyl-(4-methylphenyl)methyl]-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea (PubChem CID 78875119) has the molecular formula C20H20N4OS and a molecular weight of 364.47 g/mol. Its IUPAC name is 1-[cyclopropyl-(4-methylphenyl)methyl]-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[cyclopropyl-(4-methylphenyl)methyl]-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea
PubChem CID78875119
Molecular FormulaC20H20N4OS
Molecular Weight364.47 g/mol
Exact Mass364.14
IUPAC Name1-[cyclopropyl-(4-methylphenyl)methyl]-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea
SMILESCc1ccc(C(NC(=O)Nc2nc(-c3cccnc3)cs2)C2CC2)cc1
InChIInChI=1S/C20H20N4OS/c1-13-4-6-14(7-5-13)18(15-8-9-15)23-19(25)24-20-22-17(12-26-20)16-3-2-10-21-11-16/h2-7,10-12,15,18H,8-9H2,1H3,(H2,22,23,24,25)
InChIKeyWJBXBNSKDNVLRP-UHFFFAOYSA-N
XLogP4.79
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea
CID 111859078
1-[1-(1-cyclopropyltetrazol-5-yl)ethyl]-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea
CID 126780318
(1S,5R)-6,6-dimethyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3-azabicyclo[3.1.0]hexane-3-carboxamide
CID 97090370
2-(2,4-dimethylphenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide
CID 18581453
1-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea
CID 95784228
1-(4-phenyl-1,3-thiazol-2-yl)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)urea
CID 18771890
1-(4-methylphenyl)-3-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]urea
CID 10432011
6-methyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 18151055
3,5-dimethyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide
CID 8892667
2-tert-butylsulfanyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide
CID 35874851
1,1-bis(2-methylpropyl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea
CID 87009120
2-imidazol-1-yl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 71685846

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropyl-(4-methylphenyl)methyl]-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[cyclopropyl-(4-methylphenyl)methyl]-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea (CID 78875119) is 1-[cyclopropyl-(4-methylphenyl)methyl]-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[cyclopropyl-(4-methylphenyl)methyl]-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[cyclopropyl-(4-methylphenyl)methyl]-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea is Cc1ccc(C(NC(=O)Nc2nc(-c3cccnc3)cs2)C2CC2)cc1.
What is the InChIKey of 1-[cyclopropyl-(4-methylphenyl)methyl]-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea?
The InChIKey is WJBXBNSKDNVLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4OS/c1-13-4-6-14(7-5-13)18(15-8-9-15)23-19(25)24-20-22-17(12-26-20)16-3-2-10-21-11-16/h2-7,10-12,15,18H,8-9H2,1H3,(H2,22,23,24,25).
What are the key properties of 1-[cyclopropyl-(4-methylphenyl)methyl]-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea?
1-[cyclopropyl-(4-methylphenyl)methyl]-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea has a molecular weight of 364.47 g/mol, XLogP of 4.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopropyl-(4-methylphenyl)methyl]-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 78875119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).