1-[(1S)-1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-[[(1R,3S)-3-hydroxycyclopentyl]methyl]urea

C14H23N3O2S — CID 99792957

IUPAC1-[(1S)-1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-[[(1R,3S)-3-hydroxycyclopentyl]methyl]urea
SMILESCCc1cnc([C@H](C)NC(=O)NC[C@@H]2CC[C@H](O)C2)s1
InChIInChI=1S/C14H23N3O2S/c1-3-12-8-15-13(20-12)9(2)17-14(19)16-7-10-4-5-11(18)6-10/h8-11,18H,3-7H2,1-2H3,(H2,16,17,19)/t9-,10+,11-/m0/s1
InChIKeyLCOZKYJFIPJOHR-AXFHLTTASA-N
MW297.42 g/mol
LogP2.23
Rot. Bonds5

About 1-[(1S)-1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-[[(1R,3S)-3-hydroxycyclopentyl]methyl]urea

1-[(1S)-1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-[[(1R,3S)-3-hydroxycyclopentyl]methyl]urea (PubChem CID 99792957) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 1-[(1S)-1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-[[(1R,3S)-3-hydroxycyclopentyl]methyl]urea.

Molecular Properties

Compound Name1-[(1S)-1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-[[(1R,3S)-3-hydroxycyclopentyl]methyl]urea
PubChem CID99792957
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name1-[(1S)-1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-[[(1R,3S)-3-hydroxycyclopentyl]methyl]urea
SMILESCCc1cnc([C@H](C)NC(=O)NC[C@@H]2CC[C@H](O)C2)s1
InChIInChI=1S/C14H23N3O2S/c1-3-12-8-15-13(20-12)9(2)17-14(19)16-7-10-4-5-11(18)6-10/h8-11,18H,3-7H2,1-2H3,(H2,16,17,19)/t9-,10+,11-/m0/s1
InChIKeyLCOZKYJFIPJOHR-AXFHLTTASA-N
XLogP2.23
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 ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[(1S)-1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-[[(1R,3S)-3-hydroxycyclopentyl]methyl]urea with MolForge

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Related Compounds

1-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-[(2S)-2-hydroxypropyl]urea
CID 102563246
1-(2-ethyl-2-hydroxybutyl)-3-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]urea
CID 111796850
N-[(1R)-1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-piperidin-4-ylacetamide
CID 124576184
2-(azetidin-3-yl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 113267211
1-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea
CID 111796900
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methylpiperidine-4-carboxamide
CID 106740581
(2R)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]pyrrolidine-2-carboxamide
CID 113264319
(2R)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide
CID 103812633
1-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-(2-hydroxy-2,5-dimethylhexyl)urea
CID 111796846
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-piperidin-4-ylsulfanylacetamide
CID 114627994
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2,2,2-trifluoroacetamide
CID 112696819
1-[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-[[(1R,3R)-3-hydroxycyclopentyl]methyl]urea
CID 129429535

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-[[(1R,3S)-3-hydroxycyclopentyl]methyl]urea?
The IUPAC name of 1-[(1S)-1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-[[(1R,3S)-3-hydroxycyclopentyl]methyl]urea (CID 99792957) is 1-[(1S)-1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-[[(1R,3S)-3-hydroxycyclopentyl]methyl]urea.
What is the SMILES notation for 1-[(1S)-1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-[[(1R,3S)-3-hydroxycyclopentyl]methyl]urea?
The canonical SMILES for 1-[(1S)-1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-[[(1R,3S)-3-hydroxycyclopentyl]methyl]urea is CCc1cnc([C@H](C)NC(=O)NC[C@@H]2CC[C@H](O)C2)s1.
What is the InChIKey of 1-[(1S)-1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-[[(1R,3S)-3-hydroxycyclopentyl]methyl]urea?
The InChIKey is LCOZKYJFIPJOHR-AXFHLTTASA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-3-12-8-15-13(20-12)9(2)17-14(19)16-7-10-4-5-11(18)6-10/h8-11,18H,3-7H2,1-2H3,(H2,16,17,19)/t9-,10+,11-/m0/s1.
What are the key properties of 1-[(1S)-1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-[[(1R,3S)-3-hydroxycyclopentyl]methyl]urea?
1-[(1S)-1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-[[(1R,3S)-3-hydroxycyclopentyl]methyl]urea has a molecular weight of 297.42 g/mol, XLogP of 2.23, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-[[(1R,3S)-3-hydroxycyclopentyl]methyl]urea is sourced from PubChem (CID 99792957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).