1-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-3-propan-2-ylurea

C10H17N3OS — CID 110747788

IUPAC1-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-3-propan-2-ylurea
SMILESCc1ncc(CCNC(=O)NC(C)C)s1
InChIInChI=1S/C10H17N3OS/c1-7(2)13-10(14)11-5-4-9-6-12-8(3)15-9/h6-7H,4-5H2,1-3H3,(H2,11,13,14)
InChIKeyRZTBNJCJORSLTF-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.70
Rot. Bonds4

About 1-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-3-propan-2-ylurea

1-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-3-propan-2-ylurea (PubChem CID 110747788) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 1-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-3-propan-2-ylurea
PubChem CID110747788
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name1-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-3-propan-2-ylurea
SMILESCc1ncc(CCNC(=O)NC(C)C)s1
InChIInChI=1S/C10H17N3OS/c1-7(2)13-10(14)11-5-4-9-6-12-8(3)15-9/h6-7H,4-5H2,1-3H3,(H2,11,13,14)
InChIKeyRZTBNJCJORSLTF-UHFFFAOYSA-N
XLogP1.70
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-3-propan-2-ylurea?
The IUPAC name of 1-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-3-propan-2-ylurea (CID 110747788) is 1-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-3-propan-2-ylurea is Cc1ncc(CCNC(=O)NC(C)C)s1.
What is the InChIKey of 1-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-3-propan-2-ylurea?
The InChIKey is RZTBNJCJORSLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-7(2)13-10(14)11-5-4-9-6-12-8(3)15-9/h6-7H,4-5H2,1-3H3,(H2,11,13,14).
What are the key properties of 1-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-3-propan-2-ylurea?
1-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-3-propan-2-ylurea has a molecular weight of 227.33 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-3-propan-2-ylurea is sourced from PubChem (CID 110747788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).