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

C12H21N3O2S — CID 71868151

IUPAC1-(4-hydroxy-3-methylbutan-2-yl)-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
SMILESCc1cnc(CCNC(=O)NC(C)C(C)CO)s1
InChIInChI=1S/C12H21N3O2S/c1-8(7-16)10(3)15-12(17)13-5-4-11-14-6-9(2)18-11/h6,8,10,16H,4-5,7H2,1-3H3,(H2,13,15,17)
InChIKeyPNSRNIOWOJUPCZ-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.31
Rot. Bonds6

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

1-(4-hydroxy-3-methylbutan-2-yl)-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea (PubChem CID 71868151) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 1-(4-hydroxy-3-methylbutan-2-yl)-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-(4-hydroxy-3-methylbutan-2-yl)-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
PubChem CID71868151
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name1-(4-hydroxy-3-methylbutan-2-yl)-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
SMILESCc1cnc(CCNC(=O)NC(C)C(C)CO)s1
InChIInChI=1S/C12H21N3O2S/c1-8(7-16)10(3)15-12(17)13-5-4-11-14-6-9(2)18-11/h6,8,10,16H,4-5,7H2,1-3H3,(H2,13,15,17)
InChIKeyPNSRNIOWOJUPCZ-UHFFFAOYSA-N
XLogP1.31
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-3-methylbutan-2-yl)-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea?
The IUPAC name of 1-(4-hydroxy-3-methylbutan-2-yl)-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea (CID 71868151) is 1-(4-hydroxy-3-methylbutan-2-yl)-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea.
What is the SMILES notation for 1-(4-hydroxy-3-methylbutan-2-yl)-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea?
The canonical SMILES for 1-(4-hydroxy-3-methylbutan-2-yl)-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea is Cc1cnc(CCNC(=O)NC(C)C(C)CO)s1.
What is the InChIKey of 1-(4-hydroxy-3-methylbutan-2-yl)-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea?
The InChIKey is PNSRNIOWOJUPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-8(7-16)10(3)15-12(17)13-5-4-11-14-6-9(2)18-11/h6,8,10,16H,4-5,7H2,1-3H3,(H2,13,15,17).
What are the key properties of 1-(4-hydroxy-3-methylbutan-2-yl)-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea?
1-(4-hydroxy-3-methylbutan-2-yl)-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea has a molecular weight of 271.39 g/mol, XLogP of 1.31, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-3-methylbutan-2-yl)-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea is sourced from PubChem (CID 71868151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).