1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-(4-hydroxy-2,2-dimethylbutyl)urea

C13H24N4O2S — CID 111619161

IUPAC1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-(4-hydroxy-2,2-dimethylbutyl)urea
SMILESCN(C)c1nc(CNC(=O)NCC(C)(C)CCO)cs1
InChIInChI=1S/C13H24N4O2S/c1-13(2,5-6-18)9-15-11(19)14-7-10-8-20-12(16-10)17(3)4/h8,18H,5-7,9H2,1-4H3,(H2,14,15,19)
InChIKeyOARZAWDJBXFULV-UHFFFAOYSA-N
MW300.43 g/mol
LogP1.42
Rot. Bonds7

About 1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-(4-hydroxy-2,2-dimethylbutyl)urea

1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-(4-hydroxy-2,2-dimethylbutyl)urea (PubChem CID 111619161) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is 1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-(4-hydroxy-2,2-dimethylbutyl)urea.

Molecular Properties

Compound Name1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-(4-hydroxy-2,2-dimethylbutyl)urea
PubChem CID111619161
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC Name1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-(4-hydroxy-2,2-dimethylbutyl)urea
SMILESCN(C)c1nc(CNC(=O)NCC(C)(C)CCO)cs1
InChIInChI=1S/C13H24N4O2S/c1-13(2,5-6-18)9-15-11(19)14-7-10-8-20-12(16-10)17(3)4/h8,18H,5-7,9H2,1-4H3,(H2,14,15,19)
InChIKeyOARZAWDJBXFULV-UHFFFAOYSA-N
XLogP1.42
TPSA77.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[(3R)-3-hydroxy-2,2,4-trimethylpentyl]urea
CID 97242047
[2-(dimethylamino)-1,3-thiazol-4-yl]methylcarbamic acid
CID 139374899
1-(4-hydroxy-2,2-dimethylbutyl)-3-(thiophen-3-ylmethyl)urea
CID 111504565
3-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 111619168
1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-(3-ethyl-2-hydroxypentyl)urea
CID 111603963
1-(4-hydroxy-2,2-dimethylbutyl)-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]urea
CID 111507230
N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-hydroxy-3-phenylbutanamide
CID 110025648
1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111619178
1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[(3-fluoro-5-methoxyphenyl)methyl]urea
CID 84593918
1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[[1-(2-fluorophenyl)cyclopropyl]methyl]urea
CID 71981655
1-(4-hydroxy-2,2-dimethylbutyl)-3-(1H-indol-2-ylmethyl)urea
CID 111505462
N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-(4-hydroxyphenyl)propanamide
CID 86791470

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-(4-hydroxy-2,2-dimethylbutyl)urea?
The IUPAC name of 1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-(4-hydroxy-2,2-dimethylbutyl)urea (CID 111619161) is 1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-(4-hydroxy-2,2-dimethylbutyl)urea.
What is the SMILES notation for 1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-(4-hydroxy-2,2-dimethylbutyl)urea?
The canonical SMILES for 1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-(4-hydroxy-2,2-dimethylbutyl)urea is CN(C)c1nc(CNC(=O)NCC(C)(C)CCO)cs1.
What is the InChIKey of 1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-(4-hydroxy-2,2-dimethylbutyl)urea?
The InChIKey is OARZAWDJBXFULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-13(2,5-6-18)9-15-11(19)14-7-10-8-20-12(16-10)17(3)4/h8,18H,5-7,9H2,1-4H3,(H2,14,15,19).
What are the key properties of 1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-(4-hydroxy-2,2-dimethylbutyl)urea?
1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-(4-hydroxy-2,2-dimethylbutyl)urea has a molecular weight of 300.43 g/mol, XLogP of 1.42, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-(4-hydroxy-2,2-dimethylbutyl)urea is sourced from PubChem (CID 111619161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).