1-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-3-(4-hydroxy-2-methylbutan-2-yl)urea

C14H25N3O2S — CID 111926677

IUPAC1-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-3-(4-hydroxy-2-methylbutan-2-yl)urea
SMILESCCCc1nc(NC(=O)NC(C)(C)CCO)sc1CC
InChIInChI=1S/C14H25N3O2S/c1-5-7-10-11(6-2)20-13(15-10)16-12(19)17-14(3,4)8-9-18/h18H,5-9H2,1-4H3,(H2,15,16,17,19)
InChIKeyIEJVCKIWZZOWAC-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.94
Rot. Bonds7

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

1-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-3-(4-hydroxy-2-methylbutan-2-yl)urea (PubChem CID 111926677) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is 1-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-3-(4-hydroxy-2-methylbutan-2-yl)urea.

Molecular Properties

Compound Name1-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-3-(4-hydroxy-2-methylbutan-2-yl)urea
PubChem CID111926677
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC Name1-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-3-(4-hydroxy-2-methylbutan-2-yl)urea
SMILESCCCc1nc(NC(=O)NC(C)(C)CCO)sc1CC
InChIInChI=1S/C14H25N3O2S/c1-5-7-10-11(6-2)20-13(15-10)16-12(19)17-14(3,4)8-9-18/h18H,5-9H2,1-4H3,(H2,15,16,17,19)
InChIKeyIEJVCKIWZZOWAC-UHFFFAOYSA-N
XLogP2.94
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-N'-(3-methoxypropyl)urea
CID 50798974
N-(5-Isobutyl-4-methyl-2-thiazolyl)acetamide
CID 581583
N-(5-Sec-butyl-4-ethyl-2-thiazolyl)acetamide
CID 581987
N-(4-Ethyl-5-propyl-2-thiazolyl)acetamide
CID 598404
N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)acetamide
CID 930096
N-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2-yl]acetamide
CID 22442282
3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoylamino)-3-methylbutanoic acid
CID 64700489
3-Methyl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylcarbamoylamino)butanoic acid
CID 64700879
3-[(4-Ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]-3-methylbutanoic acid
CID 64702049
1-(4-methyloxan-4-yl)-3-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)urea
CID 75391049
1-(5-Ethyl-4-propyl-1,3-thiazol-2-yl)-3-(2-hydroxyethyl)urea
CID 75422966
1-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea
CID 75424050

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-3-(4-hydroxy-2-methylbutan-2-yl)urea?
The IUPAC name of 1-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-3-(4-hydroxy-2-methylbutan-2-yl)urea (CID 111926677) is 1-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-3-(4-hydroxy-2-methylbutan-2-yl)urea.
What is the SMILES notation for 1-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-3-(4-hydroxy-2-methylbutan-2-yl)urea?
The canonical SMILES for 1-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-3-(4-hydroxy-2-methylbutan-2-yl)urea is CCCc1nc(NC(=O)NC(C)(C)CCO)sc1CC.
What is the InChIKey of 1-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-3-(4-hydroxy-2-methylbutan-2-yl)urea?
The InChIKey is IEJVCKIWZZOWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-5-7-10-11(6-2)20-13(15-10)16-12(19)17-14(3,4)8-9-18/h18H,5-9H2,1-4H3,(H2,15,16,17,19).
What are the key properties of 1-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-3-(4-hydroxy-2-methylbutan-2-yl)urea?
1-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-3-(4-hydroxy-2-methylbutan-2-yl)urea has a molecular weight of 299.44 g/mol, XLogP of 2.94, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-3-(4-hydroxy-2-methylbutan-2-yl)urea is sourced from PubChem (CID 111926677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).