1-(5-methoxy-1,3-thiazol-2-yl)-3-[[(1R,2R)-2-(trifluoromethyl)cyclopropyl]methyl]urea

C10H12F3N3O2S — CID 138054348

IUPAC1-(5-methoxy-1,3-thiazol-2-yl)-3-[[(1R,2R)-2-(trifluoromethyl)cyclopropyl]methyl]urea
SMILESCOc1cnc(NC(=O)NC[C@@H]2C[C@H]2C(F)(F)F)s1
InChIInChI=1S/C10H12F3N3O2S/c1-18-7-4-15-9(19-7)16-8(17)14-3-5-2-6(5)10(11,12)13/h4-6H,2-3H2,1H3,(H2,14,15,16,17)/t5-,6+/m0/s1
InChIKeyAWDWJDXDLRBCTP-NTSWFWBYSA-N
MW295.29 g/mol
LogP2.47
Rot. Bonds4

About 1-(5-methoxy-1,3-thiazol-2-yl)-3-[[(1R,2R)-2-(trifluoromethyl)cyclopropyl]methyl]urea

1-(5-methoxy-1,3-thiazol-2-yl)-3-[[(1R,2R)-2-(trifluoromethyl)cyclopropyl]methyl]urea (PubChem CID 138054348) has the molecular formula C10H12F3N3O2S and a molecular weight of 295.29 g/mol. Its IUPAC name is 1-(5-methoxy-1,3-thiazol-2-yl)-3-[[(1R,2R)-2-(trifluoromethyl)cyclopropyl]methyl]urea.

Molecular Properties

Compound Name1-(5-methoxy-1,3-thiazol-2-yl)-3-[[(1R,2R)-2-(trifluoromethyl)cyclopropyl]methyl]urea
PubChem CID138054348
Molecular FormulaC10H12F3N3O2S
Molecular Weight295.29 g/mol
Exact Mass295.06
IUPAC Name1-(5-methoxy-1,3-thiazol-2-yl)-3-[[(1R,2R)-2-(trifluoromethyl)cyclopropyl]methyl]urea
SMILESCOc1cnc(NC(=O)NC[C@@H]2C[C@H]2C(F)(F)F)s1
InChIInChI=1S/C10H12F3N3O2S/c1-18-7-4-15-9(19-7)16-8(17)14-3-5-2-6(5)10(11,12)13/h4-6H,2-3H2,1H3,(H2,14,15,16,17)/t5-,6+/m0/s1
InChIKeyAWDWJDXDLRBCTP-NTSWFWBYSA-N
XLogP2.47
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-1,3-thiazol-2-yl)-3-[[(1R,2R)-2-(trifluoromethyl)cyclopropyl]methyl]urea?
The IUPAC name of 1-(5-methoxy-1,3-thiazol-2-yl)-3-[[(1R,2R)-2-(trifluoromethyl)cyclopropyl]methyl]urea (CID 138054348) is 1-(5-methoxy-1,3-thiazol-2-yl)-3-[[(1R,2R)-2-(trifluoromethyl)cyclopropyl]methyl]urea.
What is the SMILES notation for 1-(5-methoxy-1,3-thiazol-2-yl)-3-[[(1R,2R)-2-(trifluoromethyl)cyclopropyl]methyl]urea?
The canonical SMILES for 1-(5-methoxy-1,3-thiazol-2-yl)-3-[[(1R,2R)-2-(trifluoromethyl)cyclopropyl]methyl]urea is COc1cnc(NC(=O)NC[C@@H]2C[C@H]2C(F)(F)F)s1.
What is the InChIKey of 1-(5-methoxy-1,3-thiazol-2-yl)-3-[[(1R,2R)-2-(trifluoromethyl)cyclopropyl]methyl]urea?
The InChIKey is AWDWJDXDLRBCTP-NTSWFWBYSA-N. The full InChI is InChI=1S/C10H12F3N3O2S/c1-18-7-4-15-9(19-7)16-8(17)14-3-5-2-6(5)10(11,12)13/h4-6H,2-3H2,1H3,(H2,14,15,16,17)/t5-,6+/m0/s1.
What are the key properties of 1-(5-methoxy-1,3-thiazol-2-yl)-3-[[(1R,2R)-2-(trifluoromethyl)cyclopropyl]methyl]urea?
1-(5-methoxy-1,3-thiazol-2-yl)-3-[[(1R,2R)-2-(trifluoromethyl)cyclopropyl]methyl]urea has a molecular weight of 295.29 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-1,3-thiazol-2-yl)-3-[[(1R,2R)-2-(trifluoromethyl)cyclopropyl]methyl]urea is sourced from PubChem (CID 138054348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).