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

C15H28N4O2S — CID 97242047

IUPAC1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[(3R)-3-hydroxy-2,2,4-trimethylpentyl]urea
SMILESCC(C)[C@@H](O)C(C)(C)CNC(=O)NCc1csc(N(C)C)n1
InChIInChI=1S/C15H28N4O2S/c1-10(2)12(20)15(3,4)9-17-13(21)16-7-11-8-22-14(18-11)19(5)6/h8,10,12,20H,7,9H2,1-6H3,(H2,16,17,21)/t12-/m1/s1
InChIKeySRAFELFUYUVXPI-GFCCVEGCSA-N
MW328.48 g/mol
LogP2.05
Rot. Bonds7

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

1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[(3R)-3-hydroxy-2,2,4-trimethylpentyl]urea (PubChem CID 97242047) has the molecular formula C15H28N4O2S and a molecular weight of 328.48 g/mol. Its IUPAC name is 1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[(3R)-3-hydroxy-2,2,4-trimethylpentyl]urea.

Molecular Properties

Compound Name1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[(3R)-3-hydroxy-2,2,4-trimethylpentyl]urea
PubChem CID97242047
Molecular FormulaC15H28N4O2S
Molecular Weight328.48 g/mol
Exact Mass328.19
IUPAC Name1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[(3R)-3-hydroxy-2,2,4-trimethylpentyl]urea
SMILESCC(C)[C@@H](O)C(C)(C)CNC(=O)NCc1csc(N(C)C)n1
InChIInChI=1S/C15H28N4O2S/c1-10(2)12(20)15(3,4)9-17-13(21)16-7-11-8-22-14(18-11)19(5)6/h8,10,12,20H,7,9H2,1-6H3,(H2,16,17,21)/t12-/m1/s1
InChIKeySRAFELFUYUVXPI-GFCCVEGCSA-N
XLogP2.05
TPSA77.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[(3R)-3-hydroxy-2,2,4-trimethylpentyl]urea with MolForge

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Related Compounds

1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-(4-hydroxy-2,2-dimethylbutyl)urea
CID 111619161
1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(3-hydroxy-2,2,4-trimethylpentyl)urea
CID 109389950
1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-(3-ethyl-2-hydroxypentyl)urea
CID 111603963
[2-(dimethylamino)-1,3-thiazol-4-yl]methylcarbamic acid
CID 139374899
1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[[(2R,3S)-2-propan-2-yloxolan-3-yl]methyl]urea
CID 97079359
1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[[(2S,3S)-2-propan-2-yloxolan-3-yl]methyl]urea
CID 97079360
1-[2-(dimethylamino)phenyl]-3-(3-hydroxy-2,2,4-trimethylpentyl)urea
CID 109388887
1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-methyl-3-(2-methylpropyl)guanidine
CID 111964323
3-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 111619168
1-[(2-ethoxyphenyl)methyl]-3-(3-hydroxy-2,2,4-trimethylpentyl)urea
CID 109389858
1-(3-hydroxy-2,2,4-trimethylpentyl)-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 109379520
1-(4-hydroxy-2,2-dimethylpentyl)-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]urea
CID 111506338

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[(3R)-3-hydroxy-2,2,4-trimethylpentyl]urea?
The IUPAC name of 1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[(3R)-3-hydroxy-2,2,4-trimethylpentyl]urea (CID 97242047) is 1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[(3R)-3-hydroxy-2,2,4-trimethylpentyl]urea.
What is the SMILES notation for 1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[(3R)-3-hydroxy-2,2,4-trimethylpentyl]urea?
The canonical SMILES for 1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[(3R)-3-hydroxy-2,2,4-trimethylpentyl]urea is CC(C)[C@@H](O)C(C)(C)CNC(=O)NCc1csc(N(C)C)n1.
What is the InChIKey of 1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[(3R)-3-hydroxy-2,2,4-trimethylpentyl]urea?
The InChIKey is SRAFELFUYUVXPI-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H28N4O2S/c1-10(2)12(20)15(3,4)9-17-13(21)16-7-11-8-22-14(18-11)19(5)6/h8,10,12,20H,7,9H2,1-6H3,(H2,16,17,21)/t12-/m1/s1.
What are the key properties of 1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[(3R)-3-hydroxy-2,2,4-trimethylpentyl]urea?
1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[(3R)-3-hydroxy-2,2,4-trimethylpentyl]urea has a molecular weight of 328.48 g/mol, XLogP of 2.05, 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-[(3R)-3-hydroxy-2,2,4-trimethylpentyl]urea is sourced from PubChem (CID 97242047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).