1-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-3-[(1S)-1-(3-hydroxyphenyl)ethyl]urea

C17H21N3O2S — CID 99817793

IUPAC1-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-3-[(1S)-1-(3-hydroxyphenyl)ethyl]urea
SMILESCc1csc([C@H](NC(=O)N[C@@H](C)c2cccc(O)c2)C2CC2)n1
InChIInChI=1S/C17H21N3O2S/c1-10-9-23-16(18-10)15(12-6-7-12)20-17(22)19-11(2)13-4-3-5-14(21)8-13/h3-5,8-9,11-12,15,21H,6-7H2,1-2H3,(H2,19,20,22)/t11-,15+/m0/s1
InChIKeyHYEVMYRYYMTBSH-XHDPSFHLSA-N
MW331.44 g/mol
LogP3.67
Rot. Bonds5

About 1-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-3-[(1S)-1-(3-hydroxyphenyl)ethyl]urea

1-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-3-[(1S)-1-(3-hydroxyphenyl)ethyl]urea (PubChem CID 99817793) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is 1-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-3-[(1S)-1-(3-hydroxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-3-[(1S)-1-(3-hydroxyphenyl)ethyl]urea
PubChem CID99817793
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name1-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-3-[(1S)-1-(3-hydroxyphenyl)ethyl]urea
SMILESCc1csc([C@H](NC(=O)N[C@@H](C)c2cccc(O)c2)C2CC2)n1
InChIInChI=1S/C17H21N3O2S/c1-10-9-23-16(18-10)15(12-6-7-12)20-17(22)19-11(2)13-4-3-5-14(21)8-13/h3-5,8-9,11-12,15,21H,6-7H2,1-2H3,(H2,19,20,22)/t11-,15+/m0/s1
InChIKeyHYEVMYRYYMTBSH-XHDPSFHLSA-N
XLogP3.67
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-3-[(1S)-1-(3-hydroxyphenyl)ethyl]urea with MolForge

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Related Compounds

1-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-3-[(1S)-1-(3-hydroxyphenyl)ethyl]urea
CID 119039740
3-amino-N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-2-methylbutanamide
CID 120504188
1-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-3-[(2S)-2-hydroxy-2-phenylpropyl]urea
CID 97008408
1-[(S)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-3-[(3-methyl-2-pyridinyl)methyl]urea
CID 95934122
1-[(S)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-3-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]urea
CID 129378644
1-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-3-(3-ethyl-2-hydroxypentyl)urea
CID 111507979
1-(4-methyl-1,3-thiazol-2-yl)-3-[1-(3-propan-2-yloxyphenyl)ethyl]urea
CID 86989123
5-[[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]carbamoyl]pyridine-2-carboxylic acid
CID 119138180
(E)-N-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-3-thiophen-2-ylprop-2-enamide
CID 95777296
(2S,4S)-N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-2-methylpiperidine-4-carboxamide
CID 120637532
N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 126788727
1-(3-cyclobutyl-1-methylpyrazol-5-yl)-3-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]urea
CID 97228796

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-3-[(1S)-1-(3-hydroxyphenyl)ethyl]urea?
The IUPAC name of 1-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-3-[(1S)-1-(3-hydroxyphenyl)ethyl]urea (CID 99817793) is 1-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-3-[(1S)-1-(3-hydroxyphenyl)ethyl]urea.
What is the SMILES notation for 1-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-3-[(1S)-1-(3-hydroxyphenyl)ethyl]urea?
The canonical SMILES for 1-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-3-[(1S)-1-(3-hydroxyphenyl)ethyl]urea is Cc1csc([C@H](NC(=O)N[C@@H](C)c2cccc(O)c2)C2CC2)n1.
What is the InChIKey of 1-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-3-[(1S)-1-(3-hydroxyphenyl)ethyl]urea?
The InChIKey is HYEVMYRYYMTBSH-XHDPSFHLSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-10-9-23-16(18-10)15(12-6-7-12)20-17(22)19-11(2)13-4-3-5-14(21)8-13/h3-5,8-9,11-12,15,21H,6-7H2,1-2H3,(H2,19,20,22)/t11-,15+/m0/s1.
What are the key properties of 1-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-3-[(1S)-1-(3-hydroxyphenyl)ethyl]urea?
1-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-3-[(1S)-1-(3-hydroxyphenyl)ethyl]urea has a molecular weight of 331.44 g/mol, XLogP of 3.67, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-3-[(1S)-1-(3-hydroxyphenyl)ethyl]urea is sourced from PubChem (CID 99817793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).