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

C15H23N3OS2 — CID 97021499

IUPAC1-[(1R)-1-(2-cyclopropyl-1,3-thiazol-4-yl)ethyl]-3-[[(2R)-2-methylthiolan-2-yl]methyl]urea
SMILESC[C@@H](NC(=O)NC[C@@]1(C)CCCS1)c1csc(C2CC2)n1
InChIInChI=1S/C15H23N3OS2/c1-10(12-8-20-13(18-12)11-4-5-11)17-14(19)16-9-15(2)6-3-7-21-15/h8,10-11H,3-7,9H2,1-2H3,(H2,16,17,19)/t10-,15-/m1/s1
InChIKeyWSMPIBNCLQXJNS-MEBBXXQBSA-N
MW325.50 g/mol
LogP3.67
Rot. Bonds5

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

1-[(1R)-1-(2-cyclopropyl-1,3-thiazol-4-yl)ethyl]-3-[[(2R)-2-methylthiolan-2-yl]methyl]urea (PubChem CID 97021499) has the molecular formula C15H23N3OS2 and a molecular weight of 325.50 g/mol. Its IUPAC name is 1-[(1R)-1-(2-cyclopropyl-1,3-thiazol-4-yl)ethyl]-3-[[(2R)-2-methylthiolan-2-yl]methyl]urea.

Molecular Properties

Compound Name1-[(1R)-1-(2-cyclopropyl-1,3-thiazol-4-yl)ethyl]-3-[[(2R)-2-methylthiolan-2-yl]methyl]urea
PubChem CID97021499
Molecular FormulaC15H23N3OS2
Molecular Weight325.50 g/mol
Exact Mass325.13
IUPAC Name1-[(1R)-1-(2-cyclopropyl-1,3-thiazol-4-yl)ethyl]-3-[[(2R)-2-methylthiolan-2-yl]methyl]urea
SMILESC[C@@H](NC(=O)NC[C@@]1(C)CCCS1)c1csc(C2CC2)n1
InChIInChI=1S/C15H23N3OS2/c1-10(12-8-20-13(18-12)11-4-5-11)17-14(19)16-9-15(2)6-3-7-21-15/h8,10-11H,3-7,9H2,1-2H3,(H2,16,17,19)/t10-,15-/m1/s1
InChIKeyWSMPIBNCLQXJNS-MEBBXXQBSA-N
XLogP3.67
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

1-[(1R)-1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[[(2S)-2-methylthiolan-2-yl]methyl]urea
CID 97089574
1-[1-(2-cyclopropyl-1,3-thiazol-4-yl)ethyl]-3-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]urea
CID 75425428
1-(2-methyl-1,3-thiazol-4-yl)-N-[(2-methylthiolan-2-yl)methyl]ethanamine
CID 80726824
(2S)-3-hydroxy-2-[(2-methylthiolan-2-yl)methylcarbamoylamino]propanoic acid
CID 80744506
1-[(1R)-1-(2-cyclopropyl-1,3-thiazol-4-yl)ethyl]-3-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]urea
CID 95905111
3-methyl-2-[[(2-methylthiolan-2-yl)methylcarbamoylamino]methyl]butanoic acid
CID 80744273
1-cyclobutyl-3-[(2-methylthiolan-2-yl)methyl]urea
CID 115694325
5-[(2-methylthiolan-2-yl)methylcarbamoylamino]hexanoic acid
CID 82849016
1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111438791
(3aR,7aR)-N-[(1S)-1-(2-cyclopropyl-1,3-thiazol-4-yl)ethyl]-1,3,3a,4,7,7a-hexahydroisoindole-2-carboxamide
CID 129434872
1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[(1-hydroxycycloheptyl)methyl]urea
CID 111426894
N-[(2-methylthiolan-2-yl)methyl]cyclopropanecarboxamide
CID 80528490

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2-cyclopropyl-1,3-thiazol-4-yl)ethyl]-3-[[(2R)-2-methylthiolan-2-yl]methyl]urea?
The IUPAC name of 1-[(1R)-1-(2-cyclopropyl-1,3-thiazol-4-yl)ethyl]-3-[[(2R)-2-methylthiolan-2-yl]methyl]urea (CID 97021499) is 1-[(1R)-1-(2-cyclopropyl-1,3-thiazol-4-yl)ethyl]-3-[[(2R)-2-methylthiolan-2-yl]methyl]urea.
What is the SMILES notation for 1-[(1R)-1-(2-cyclopropyl-1,3-thiazol-4-yl)ethyl]-3-[[(2R)-2-methylthiolan-2-yl]methyl]urea?
The canonical SMILES for 1-[(1R)-1-(2-cyclopropyl-1,3-thiazol-4-yl)ethyl]-3-[[(2R)-2-methylthiolan-2-yl]methyl]urea is C[C@@H](NC(=O)NC[C@@]1(C)CCCS1)c1csc(C2CC2)n1.
What is the InChIKey of 1-[(1R)-1-(2-cyclopropyl-1,3-thiazol-4-yl)ethyl]-3-[[(2R)-2-methylthiolan-2-yl]methyl]urea?
The InChIKey is WSMPIBNCLQXJNS-MEBBXXQBSA-N. The full InChI is InChI=1S/C15H23N3OS2/c1-10(12-8-20-13(18-12)11-4-5-11)17-14(19)16-9-15(2)6-3-7-21-15/h8,10-11H,3-7,9H2,1-2H3,(H2,16,17,19)/t10-,15-/m1/s1.
What are the key properties of 1-[(1R)-1-(2-cyclopropyl-1,3-thiazol-4-yl)ethyl]-3-[[(2R)-2-methylthiolan-2-yl]methyl]urea?
1-[(1R)-1-(2-cyclopropyl-1,3-thiazol-4-yl)ethyl]-3-[[(2R)-2-methylthiolan-2-yl]methyl]urea has a molecular weight of 325.50 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2-cyclopropyl-1,3-thiazol-4-yl)ethyl]-3-[[(2R)-2-methylthiolan-2-yl]methyl]urea is sourced from PubChem (CID 97021499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).