1-[(3R)-1,1-dioxothiolan-3-yl]-1-ethyl-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea

C15H18N4O3S2 — CID 97319612

IUPAC1-[(3R)-1,1-dioxothiolan-3-yl]-1-ethyl-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea
SMILESCCN(C(=O)Nc1nc(-c2cccnc2)cs1)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C15H18N4O3S2/c1-2-19(12-5-7-24(21,22)10-12)15(20)18-14-17-13(9-23-14)11-4-3-6-16-8-11/h3-4,6,8-9,12H,2,5,7,10H2,1H3,(H,17,18,20)/t12-/m1/s1
InChIKeyIEQCTPZNSMASEN-GFCCVEGCSA-N
MW366.47 g/mol
LogP2.25
Rot. Bonds4

About 1-[(3R)-1,1-dioxothiolan-3-yl]-1-ethyl-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea

1-[(3R)-1,1-dioxothiolan-3-yl]-1-ethyl-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea (PubChem CID 97319612) has the molecular formula C15H18N4O3S2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 1-[(3R)-1,1-dioxothiolan-3-yl]-1-ethyl-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[(3R)-1,1-dioxothiolan-3-yl]-1-ethyl-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea
PubChem CID97319612
Molecular FormulaC15H18N4O3S2
Molecular Weight366.47 g/mol
Exact Mass366.08
IUPAC Name1-[(3R)-1,1-dioxothiolan-3-yl]-1-ethyl-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea
SMILESCCN(C(=O)Nc1nc(-c2cccnc2)cs1)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C15H18N4O3S2/c1-2-19(12-5-7-24(21,22)10-12)15(20)18-14-17-13(9-23-14)11-4-3-6-16-8-11/h3-4,6,8-9,12H,2,5,7,10H2,1H3,(H,17,18,20)/t12-/m1/s1
InChIKeyIEQCTPZNSMASEN-GFCCVEGCSA-N
XLogP2.25
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(3R)-1,1-dioxothiolan-3-yl]-1-ethyl-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea with MolForge

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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
N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 97207809
1,1-bis(2-methylpropyl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea
CID 87009120
2-[(1,1-dioxothiolan-3-yl)-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]amino]acetic acid
CID 61194407
N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide
CID 72897581
3-(2,6-difluorophenyl)-1-(1,1-dioxothiolan-3-yl)-1-ethylurea
CID 108989871
3-(1,3-benzothiazol-2-yl)-1-[2-(diethylamino)ethyl]-1-[(3S)-1,1-dioxothiolan-3-yl]urea
CID 97341944
4-(diethylaminomethyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 43070031
1-(1,1-dioxothiolan-3-yl)-1-ethyl-3-(4-fluorophenyl)urea
CID 108866926
1-[(3R)-1,1-dioxothiolan-3-yl]-1-ethyl-3-(6-phenoxy-3-pyridinyl)urea
CID 97454774
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-1,1-dioxothiolane-3-carboxamide
CID 17421007
2-(1-ethylcyclobutyl)-2-methyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 143651780

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1,1-dioxothiolan-3-yl]-1-ethyl-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[(3R)-1,1-dioxothiolan-3-yl]-1-ethyl-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea (CID 97319612) is 1-[(3R)-1,1-dioxothiolan-3-yl]-1-ethyl-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[(3R)-1,1-dioxothiolan-3-yl]-1-ethyl-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[(3R)-1,1-dioxothiolan-3-yl]-1-ethyl-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea is CCN(C(=O)Nc1nc(-c2cccnc2)cs1)[C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of 1-[(3R)-1,1-dioxothiolan-3-yl]-1-ethyl-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea?
The InChIKey is IEQCTPZNSMASEN-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H18N4O3S2/c1-2-19(12-5-7-24(21,22)10-12)15(20)18-14-17-13(9-23-14)11-4-3-6-16-8-11/h3-4,6,8-9,12H,2,5,7,10H2,1H3,(H,17,18,20)/t12-/m1/s1.
What are the key properties of 1-[(3R)-1,1-dioxothiolan-3-yl]-1-ethyl-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea?
1-[(3R)-1,1-dioxothiolan-3-yl]-1-ethyl-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea has a molecular weight of 366.47 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1,1-dioxothiolan-3-yl]-1-ethyl-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 97319612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).