1-[(1-hydroxycyclopentyl)methyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea

C14H23N3O2S — CID 111104417

IUPAC1-[(1-hydroxycyclopentyl)methyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea
SMILESCCC(NC(=O)NCC1(O)CCCC1)c1nc(C)cs1
InChIInChI=1S/C14H23N3O2S/c1-3-11(12-16-10(2)8-20-12)17-13(18)15-9-14(19)6-4-5-7-14/h8,11,19H,3-7,9H2,1-2H3,(H2,15,17,18)
InChIKeyFLDXNGIXCCRLGV-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.51
Rot. Bonds5

About 1-[(1-hydroxycyclopentyl)methyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea

1-[(1-hydroxycyclopentyl)methyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea (PubChem CID 111104417) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 1-[(1-hydroxycyclopentyl)methyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea.

Molecular Properties

Compound Name1-[(1-hydroxycyclopentyl)methyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea
PubChem CID111104417
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name1-[(1-hydroxycyclopentyl)methyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea
SMILESCCC(NC(=O)NCC1(O)CCCC1)c1nc(C)cs1
InChIInChI=1S/C14H23N3O2S/c1-3-11(12-16-10(2)8-20-12)17-13(18)15-9-14(19)6-4-5-7-14/h8,11,19H,3-7,9H2,1-2H3,(H2,15,17,18)
InChIKeyFLDXNGIXCCRLGV-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119878993
1-[(6-methyl-3-pyridinyl)methyl]-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)propyl]urea
CID 95598162
1-[(1-hydroxycyclopentyl)methyl]-3-(1-thiophen-2-ylpropyl)urea
CID 111104096
4-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]benzene-1,4-dicarboxamide
CID 119121653
(1S)-2,2-dichloro-1-methyl-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)propyl]cyclopropane-1-carboxamide
CID 95334068
1-[[1-(2-methoxyethyl)cyclopentyl]methyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 71918300
2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide;dihydrochloride
CID 119879043
cis-(1S,3R)-2,2-dimethyl-3-[1-(4-methyl-1,3-thiazol-2-yl)propylcarbamoyl]cyclopropane-1-carboxylic acid
CID 122065524
1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea
CID 111104425
4-(methylamino)-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]butanamide;dihydrochloride
CID 119879007
N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]pyrrolidine-3-carboxamide
CID 119879072
3-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]benzene-1,3-dicarboxamide
CID 119121660

Frequently Asked Questions

What is the IUPAC name of 1-[(1-hydroxycyclopentyl)methyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea?
The IUPAC name of 1-[(1-hydroxycyclopentyl)methyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea (CID 111104417) is 1-[(1-hydroxycyclopentyl)methyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea.
What is the SMILES notation for 1-[(1-hydroxycyclopentyl)methyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea?
The canonical SMILES for 1-[(1-hydroxycyclopentyl)methyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea is CCC(NC(=O)NCC1(O)CCCC1)c1nc(C)cs1.
What is the InChIKey of 1-[(1-hydroxycyclopentyl)methyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea?
The InChIKey is FLDXNGIXCCRLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-3-11(12-16-10(2)8-20-12)17-13(18)15-9-14(19)6-4-5-7-14/h8,11,19H,3-7,9H2,1-2H3,(H2,15,17,18).
What are the key properties of 1-[(1-hydroxycyclopentyl)methyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea?
1-[(1-hydroxycyclopentyl)methyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea has a molecular weight of 297.42 g/mol, XLogP of 2.51, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-hydroxycyclopentyl)methyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea is sourced from PubChem (CID 111104417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).