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

C13H23N3O2S — CID 84587582

IUPAC1-(4-hydroxy-3-methylbutan-2-yl)-3-[5-(2-methylpropyl)-1,3-thiazol-2-yl]urea
SMILESCC(C)Cc1cnc(NC(=O)NC(C)C(C)CO)s1
InChIInChI=1S/C13H23N3O2S/c1-8(2)5-11-6-14-13(19-11)16-12(18)15-10(4)9(3)7-17/h6,8-10,17H,5,7H2,1-4H3,(H2,14,15,16,18)
InChIKeySMJBGKOZNBFBKE-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.48
Rot. Bonds6

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

1-(4-hydroxy-3-methylbutan-2-yl)-3-[5-(2-methylpropyl)-1,3-thiazol-2-yl]urea (PubChem CID 84587582) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is 1-(4-hydroxy-3-methylbutan-2-yl)-3-[5-(2-methylpropyl)-1,3-thiazol-2-yl]urea.

Molecular Properties

Compound Name1-(4-hydroxy-3-methylbutan-2-yl)-3-[5-(2-methylpropyl)-1,3-thiazol-2-yl]urea
PubChem CID84587582
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC Name1-(4-hydroxy-3-methylbutan-2-yl)-3-[5-(2-methylpropyl)-1,3-thiazol-2-yl]urea
SMILESCC(C)Cc1cnc(NC(=O)NC(C)C(C)CO)s1
InChIInChI=1S/C13H23N3O2S/c1-8(2)5-11-6-14-13(19-11)16-12(18)15-10(4)9(3)7-17/h6,8-10,17H,5,7H2,1-4H3,(H2,14,15,16,18)
InChIKeySMJBGKOZNBFBKE-UHFFFAOYSA-N
XLogP2.48
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(Dimethylamino)ethyl]-3-[5-(2-methylpropyl)-1,3-thiazol-2-yl]urea
CID 75500154
N-[5-(2-methylpropyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide
CID 84587563
1-[(3-Hydroxycyclohexyl)methyl]-3-(5-propyl-1,3-thiazol-2-yl)urea
CID 84596554
1-[(3S)-3-hydroxypentyl]-3-[5-(2-methylpropyl)-1,3-thiazol-2-yl]urea
CID 97228774
1-[(3S)-3-methyloxolan-3-yl]-3-[5-(2-methylpropyl)-1,3-thiazol-2-yl]urea
CID 97244541
1-[N'-[3-(2-amino-1,3-thiazol-5-yl)propyl]carbamimidoyl]-3-pentylurea
CID 168278471
N-(5-cyclobutyl-1,3-thiazol-2-yl)-3-hydroxypyrrolidine-1-carboxamide
CID 9921521
N-[5-(2-methylpropyl)-1,3-thiazol-2-yl]butanamide
CID 22170594
4-hydroxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 22559580
1-Butyl-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea
CID 22559611
3-hydroxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 22559661
tert-butyl N-[5-[(2R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazol-2-yl]carbamate
CID 59926713

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-3-methylbutan-2-yl)-3-[5-(2-methylpropyl)-1,3-thiazol-2-yl]urea?
The IUPAC name of 1-(4-hydroxy-3-methylbutan-2-yl)-3-[5-(2-methylpropyl)-1,3-thiazol-2-yl]urea (CID 84587582) is 1-(4-hydroxy-3-methylbutan-2-yl)-3-[5-(2-methylpropyl)-1,3-thiazol-2-yl]urea.
What is the SMILES notation for 1-(4-hydroxy-3-methylbutan-2-yl)-3-[5-(2-methylpropyl)-1,3-thiazol-2-yl]urea?
The canonical SMILES for 1-(4-hydroxy-3-methylbutan-2-yl)-3-[5-(2-methylpropyl)-1,3-thiazol-2-yl]urea is CC(C)Cc1cnc(NC(=O)NC(C)C(C)CO)s1.
What is the InChIKey of 1-(4-hydroxy-3-methylbutan-2-yl)-3-[5-(2-methylpropyl)-1,3-thiazol-2-yl]urea?
The InChIKey is SMJBGKOZNBFBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-8(2)5-11-6-14-13(19-11)16-12(18)15-10(4)9(3)7-17/h6,8-10,17H,5,7H2,1-4H3,(H2,14,15,16,18).
What are the key properties of 1-(4-hydroxy-3-methylbutan-2-yl)-3-[5-(2-methylpropyl)-1,3-thiazol-2-yl]urea?
1-(4-hydroxy-3-methylbutan-2-yl)-3-[5-(2-methylpropyl)-1,3-thiazol-2-yl]urea has a molecular weight of 285.41 g/mol, XLogP of 2.48, 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-[5-(2-methylpropyl)-1,3-thiazol-2-yl]urea is sourced from PubChem (CID 84587582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).