1-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[2-(3-hydroxyphenyl)ethyl]urea

C16H19N3O2S — CID 96520241

IUPAC1-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[2-(3-hydroxyphenyl)ethyl]urea
SMILESO=C(NCCc1cccc(O)c1)N[C@@H](c1nccs1)C1CC1
InChIInChI=1S/C16H19N3O2S/c20-13-3-1-2-11(10-13)6-7-18-16(21)19-14(12-4-5-12)15-17-8-9-22-15/h1-3,8-10,12,14,20H,4-7H2,(H2,18,19,21)/t14-/m1/s1
InChIKeyIPUWVDJPWRTVHP-CQSZACIVSA-N
MW317.41 g/mol
LogP2.84
Rot. Bonds6

About 1-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[2-(3-hydroxyphenyl)ethyl]urea

1-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[2-(3-hydroxyphenyl)ethyl]urea (PubChem CID 96520241) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is 1-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[2-(3-hydroxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[2-(3-hydroxyphenyl)ethyl]urea
PubChem CID96520241
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name1-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[2-(3-hydroxyphenyl)ethyl]urea
SMILESO=C(NCCc1cccc(O)c1)N[C@@H](c1nccs1)C1CC1
InChIInChI=1S/C16H19N3O2S/c20-13-3-1-2-11(10-13)6-7-18-16(21)19-14(12-4-5-12)15-17-8-9-22-15/h1-3,8-10,12,14,20H,4-7H2,(H2,18,19,21)/t14-/m1/s1
InChIKeyIPUWVDJPWRTVHP-CQSZACIVSA-N
XLogP2.84
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]carbamoylamino]ethyl]cyclopentanecarboxamide
CID 97219025
N-[3-[[cyclopropyl(1,3-thiazol-2-yl)methyl]carbamoylamino]propyl]cyclobutanecarboxamide
CID 71978867
1-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(1R)-3-hydroxy-1-phenylpropyl]urea
CID 111506905
1-[cyclopropyl(phenyl)methyl]-3-(2-phenylethyl)urea
CID 42886062
1-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[4-(3,3,3-trifluoropropyl)phenyl]urea
CID 126781318
1-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]urea
CID 96518480
1-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(2R)-1-(3-fluorophenoxy)propan-2-yl]urea
CID 97218961
1-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[2-(ethoxymethyl)phenyl]urea
CID 71992541
N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-2-hydroxy-2-phenylacetamide
CID 111540388
1-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]urea
CID 95950890
1-[2-(3-hydroxyphenyl)ethyl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea
CID 110924433
1-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(1R,3R)-3-methylcyclohexyl]urea
CID 100895196

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[2-(3-hydroxyphenyl)ethyl]urea?
The IUPAC name of 1-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[2-(3-hydroxyphenyl)ethyl]urea (CID 96520241) is 1-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[2-(3-hydroxyphenyl)ethyl]urea.
What is the SMILES notation for 1-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[2-(3-hydroxyphenyl)ethyl]urea?
The canonical SMILES for 1-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[2-(3-hydroxyphenyl)ethyl]urea is O=C(NCCc1cccc(O)c1)N[C@@H](c1nccs1)C1CC1.
What is the InChIKey of 1-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[2-(3-hydroxyphenyl)ethyl]urea?
The InChIKey is IPUWVDJPWRTVHP-CQSZACIVSA-N. The full InChI is InChI=1S/C16H19N3O2S/c20-13-3-1-2-11(10-13)6-7-18-16(21)19-14(12-4-5-12)15-17-8-9-22-15/h1-3,8-10,12,14,20H,4-7H2,(H2,18,19,21)/t14-/m1/s1.
What are the key properties of 1-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[2-(3-hydroxyphenyl)ethyl]urea?
1-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[2-(3-hydroxyphenyl)ethyl]urea has a molecular weight of 317.41 g/mol, XLogP of 2.84, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[2-(3-hydroxyphenyl)ethyl]urea is sourced from PubChem (CID 96520241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).