1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methyl-3-(1-methylpyrazol-4-yl)urea

C13H19N5OS — CID 118780443

IUPAC1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methyl-3-(1-methylpyrazol-4-yl)urea
SMILESCc1nc(C(C)N(C)C(=O)Nc2cnn(C)c2)c(C)s1
InChIInChI=1S/C13H19N5OS/c1-8(12-9(2)20-10(3)15-12)18(5)13(19)16-11-6-14-17(4)7-11/h6-8H,1-5H3,(H,16,19)
InChIKeyZKROUPNVJXQMMR-UHFFFAOYSA-N
MW293.40 g/mol
LogP2.72
Rot. Bonds3

About 1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methyl-3-(1-methylpyrazol-4-yl)urea

1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methyl-3-(1-methylpyrazol-4-yl)urea (PubChem CID 118780443) has the molecular formula C13H19N5OS and a molecular weight of 293.40 g/mol. Its IUPAC name is 1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methyl-3-(1-methylpyrazol-4-yl)urea.

Molecular Properties

Compound Name1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methyl-3-(1-methylpyrazol-4-yl)urea
PubChem CID118780443
Molecular FormulaC13H19N5OS
Molecular Weight293.40 g/mol
Exact Mass293.13
IUPAC Name1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methyl-3-(1-methylpyrazol-4-yl)urea
SMILESCc1nc(C(C)N(C)C(=O)Nc2cnn(C)c2)c(C)s1
InChIInChI=1S/C13H19N5OS/c1-8(12-9(2)20-10(3)15-12)18(5)13(19)16-11-6-14-17(4)7-11/h6-8H,1-5H3,(H,16,19)
InChIKeyZKROUPNVJXQMMR-UHFFFAOYSA-N
XLogP2.72
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(2-Methyl-1,3-thiazol-4-yl)ethyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea
CID 47223734
N-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-2-{methyl[1-(1,3-thiazol-2-yl)ethyl]amino}acetamide
CID 50962019
1-[1-(1,3-Dimethylpyrazol-4-yl)ethyl]-3-[1-(1,3-thiazol-2-yl)propyl]urea
CID 72006333
1-[(2,5-Dimethylpyrazol-3-yl)methyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 121527433
1-(1,5-dimethylpyrazol-4-yl)-3-[(1S)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]urea
CID 125177931
1-(2-Ethyl-4-methyl-1,3-thiazol-5-yl)-3-[1-(2-fluoroethyl)pyrazol-4-yl]urea
CID 136555035
1-(3-ethyl-1-methylpyrazol-4-yl)-3-[(1S)-1-(1,3-thiazol-2-yl)ethyl]urea
CID 137998353
1-methyl-1-[(1-methylpyrazol-3-yl)methyl]-3-[(1S)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 164636544
1-[1-(2,2-Difluoroethyl)pyrazol-4-yl]-3-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]urea
CID 71867129
1-[1-(2,2-Difluoroethyl)pyrazol-4-yl]-3-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]urea
CID 71984834
1-(1-Methylpyrazol-4-yl)-3-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]urea
CID 71985585
1-[(4,5-Dimethyl-1,3-thiazol-2-yl)methyl]-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]urea
CID 72117630

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methyl-3-(1-methylpyrazol-4-yl)urea?
The IUPAC name of 1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methyl-3-(1-methylpyrazol-4-yl)urea (CID 118780443) is 1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methyl-3-(1-methylpyrazol-4-yl)urea.
What is the SMILES notation for 1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methyl-3-(1-methylpyrazol-4-yl)urea?
The canonical SMILES for 1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methyl-3-(1-methylpyrazol-4-yl)urea is Cc1nc(C(C)N(C)C(=O)Nc2cnn(C)c2)c(C)s1.
What is the InChIKey of 1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methyl-3-(1-methylpyrazol-4-yl)urea?
The InChIKey is ZKROUPNVJXQMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS/c1-8(12-9(2)20-10(3)15-12)18(5)13(19)16-11-6-14-17(4)7-11/h6-8H,1-5H3,(H,16,19).
What are the key properties of 1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methyl-3-(1-methylpyrazol-4-yl)urea?
1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methyl-3-(1-methylpyrazol-4-yl)urea has a molecular weight of 293.40 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methyl-3-(1-methylpyrazol-4-yl)urea is sourced from PubChem (CID 118780443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).