1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea

C15H18N4O2S — CID 111859078

IUPAC1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea
SMILESCN(CC(O)C1CC1)C(=O)Nc1nc(-c2cccnc2)cs1
InChIInChI=1S/C15H18N4O2S/c1-19(8-13(20)10-4-5-10)15(21)18-14-17-12(9-22-14)11-3-2-6-16-7-11/h2-3,6-7,9-10,13,20H,4-5,8H2,1H3,(H,17,18,21)
InChIKeyXKSBPRAHDPTCIM-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.44
Rot. Bonds5

About 1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea

1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea (PubChem CID 111859078) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is 1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea
PubChem CID111859078
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea
SMILESCN(CC(O)C1CC1)C(=O)Nc1nc(-c2cccnc2)cs1
InChIInChI=1S/C15H18N4O2S/c1-19(8-13(20)10-4-5-10)15(21)18-14-17-12(9-22-14)11-3-2-6-16-7-11/h2-3,6-7,9-10,13,20H,4-5,8H2,1H3,(H,17,18,21)
InChIKeyXKSBPRAHDPTCIM-UHFFFAOYSA-N
XLogP2.44
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1,1-bis(2-methylpropyl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea
CID 87009120
1-[cyclopropyl-(4-methylphenyl)methyl]-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea
CID 78875119
1-[(3R)-1,1-dioxothiolan-3-yl]-1-ethyl-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea
CID 97319612
2-tert-butylsulfanyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide
CID 35874851
2-hydroxy-3,4-dimethyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 78895805
(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
4-(diethylamino)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 4142843
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
2-(1-ethylcyclobutyl)-2-methyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 143651780
3-(2-methylphenoxy)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 9361604
4-amino-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)butanamide
CID 110460819

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea (CID 111859078) is 1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea is CN(CC(O)C1CC1)C(=O)Nc1nc(-c2cccnc2)cs1.
What is the InChIKey of 1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea?
The InChIKey is XKSBPRAHDPTCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-19(8-13(20)10-4-5-10)15(21)18-14-17-12(9-22-14)11-3-2-6-16-7-11/h2-3,6-7,9-10,13,20H,4-5,8H2,1H3,(H,17,18,21).
What are the key properties of 1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea?
1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea has a molecular weight of 318.40 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 111859078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).