1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[1-(1,3-thiazol-2-yl)propyl]urea

C14H23N3O2S — CID 111506596

IUPAC1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[1-(1,3-thiazol-2-yl)propyl]urea
SMILESCCC(NC(=O)NC1CCCC1(C)CO)c1nccs1
InChIInChI=1S/C14H23N3O2S/c1-3-10(12-15-7-8-20-12)16-13(19)17-11-5-4-6-14(11,2)9-18/h7-8,10-11,18H,3-6,9H2,1-2H3,(H2,16,17,19)
InChIKeyDFWKSMLKMBKDMG-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.44
Rot. Bonds5

About 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[1-(1,3-thiazol-2-yl)propyl]urea

1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[1-(1,3-thiazol-2-yl)propyl]urea (PubChem CID 111506596) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[1-(1,3-thiazol-2-yl)propyl]urea.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[1-(1,3-thiazol-2-yl)propyl]urea
PubChem CID111506596
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[1-(1,3-thiazol-2-yl)propyl]urea
SMILESCCC(NC(=O)NC1CCCC1(C)CO)c1nccs1
InChIInChI=1S/C14H23N3O2S/c1-3-10(12-15-7-8-20-12)16-13(19)17-11-5-4-6-14(11,2)9-18/h7-8,10-11,18H,3-6,9H2,1-2H3,(H2,16,17,19)
InChIKeyDFWKSMLKMBKDMG-UHFFFAOYSA-N
XLogP2.44
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[1-(1,3-thiazol-2-yl)propyl]urea with MolForge

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Related Compounds

2-[1-(1,3-thiazol-2-yl)propylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 64815807
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[4-(1,3-thiazol-2-yl)phenyl]urea
CID 111473384
4-[1-(1,3-thiazol-2-yl)propylcarbamoylamino]oxolane-3-carboxylic acid
CID 66240579
3-methyl-N-[1-(1,3-thiazol-2-yl)propyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119890763
2-cyclopentyl-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]acetamide
CID 99630332
1-(aminomethyl)-N-[1-(1,3-thiazol-2-yl)propyl]cyclohexane-1-carboxamide
CID 115437914
2,2-dimethyl-3-oxo-3-[1-(1,3-thiazol-2-yl)propylamino]propanoic acid
CID 82821210
(2R)-3,3-dimethyl-2-[1-(1,3-thiazol-2-yl)propylcarbamoylamino]butanoic acid
CID 103928082
1-cyclohexyl-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111470878
2-(cyclopropylmethylamino)-N-[1-(1,3-thiazol-2-yl)propyl]acetamide;dihydrochloride
CID 119890777
1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111473146
1-(2,2-dimethylcyclopentyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111841148

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[1-(1,3-thiazol-2-yl)propyl]urea?
The IUPAC name of 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[1-(1,3-thiazol-2-yl)propyl]urea (CID 111506596) is 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[1-(1,3-thiazol-2-yl)propyl]urea.
What is the SMILES notation for 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[1-(1,3-thiazol-2-yl)propyl]urea?
The canonical SMILES for 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[1-(1,3-thiazol-2-yl)propyl]urea is CCC(NC(=O)NC1CCCC1(C)CO)c1nccs1.
What is the InChIKey of 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[1-(1,3-thiazol-2-yl)propyl]urea?
The InChIKey is DFWKSMLKMBKDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-3-10(12-15-7-8-20-12)16-13(19)17-11-5-4-6-14(11,2)9-18/h7-8,10-11,18H,3-6,9H2,1-2H3,(H2,16,17,19).
What are the key properties of 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[1-(1,3-thiazol-2-yl)propyl]urea?
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[1-(1,3-thiazol-2-yl)propyl]urea has a molecular weight of 297.42 g/mol, XLogP of 2.44, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[1-(1,3-thiazol-2-yl)propyl]urea is sourced from PubChem (CID 111506596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).