3-(3-ethyl-1-methylpyrazol-5-yl)-1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylurea

C14H21N5OS — CID 71864934

IUPAC3-(3-ethyl-1-methylpyrazol-5-yl)-1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylurea
SMILESCCc1cc(NC(=O)N(C)Cc2ncc(CC)s2)n(C)n1
InChIInChI=1S/C14H21N5OS/c1-5-10-7-12(19(4)17-10)16-14(20)18(3)9-13-15-8-11(6-2)21-13/h7-8H,5-6,9H2,1-4H3,(H,16,20)
InChIKeyWZOLEHFRCSITGD-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.67
Rot. Bonds5

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

3-(3-ethyl-1-methylpyrazol-5-yl)-1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylurea (PubChem CID 71864934) has the molecular formula C14H21N5OS and a molecular weight of 307.42 g/mol. Its IUPAC name is 3-(3-ethyl-1-methylpyrazol-5-yl)-1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylurea.

Molecular Properties

Compound Name3-(3-ethyl-1-methylpyrazol-5-yl)-1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylurea
PubChem CID71864934
Molecular FormulaC14H21N5OS
Molecular Weight307.42 g/mol
Exact Mass307.15
IUPAC Name3-(3-ethyl-1-methylpyrazol-5-yl)-1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylurea
SMILESCCc1cc(NC(=O)N(C)Cc2ncc(CC)s2)n(C)n1
InChIInChI=1S/C14H21N5OS/c1-5-10-7-12(19(4)17-10)16-14(20)18(3)9-13-15-8-11(6-2)21-13/h7-8H,5-6,9H2,1-4H3,(H,16,20)
InChIKeyWZOLEHFRCSITGD-UHFFFAOYSA-N
XLogP2.67
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-1-methylpyrazol-5-yl)-1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylurea?
The IUPAC name of 3-(3-ethyl-1-methylpyrazol-5-yl)-1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylurea (CID 71864934) is 3-(3-ethyl-1-methylpyrazol-5-yl)-1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylurea.
What is the SMILES notation for 3-(3-ethyl-1-methylpyrazol-5-yl)-1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylurea?
The canonical SMILES for 3-(3-ethyl-1-methylpyrazol-5-yl)-1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylurea is CCc1cc(NC(=O)N(C)Cc2ncc(CC)s2)n(C)n1.
What is the InChIKey of 3-(3-ethyl-1-methylpyrazol-5-yl)-1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylurea?
The InChIKey is WZOLEHFRCSITGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5OS/c1-5-10-7-12(19(4)17-10)16-14(20)18(3)9-13-15-8-11(6-2)21-13/h7-8H,5-6,9H2,1-4H3,(H,16,20).
What are the key properties of 3-(3-ethyl-1-methylpyrazol-5-yl)-1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylurea?
3-(3-ethyl-1-methylpyrazol-5-yl)-1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylurea has a molecular weight of 307.42 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-1-methylpyrazol-5-yl)-1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylurea is sourced from PubChem (CID 71864934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).