1-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea

C10H6F3N7OS2 — CID 155951281

IUPAC1-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea
SMILESO=C(Nc1nnc(C(F)(F)F)s1)Nc1cn[nH]c1-c1nccs1
InChIInChI=1S/C10H6F3N7OS2/c11-10(12,13)7-19-20-9(23-7)17-8(21)16-4-3-15-18-5(4)6-14-1-2-22-6/h1-3H,(H,15,18)(H2,16,17,20,21)
InChIKeyLTORKCPSMFIUGV-UHFFFAOYSA-N
MW361.33 g/mol
LogP3.05
Rot. Bonds3

About 1-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea

1-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea (PubChem CID 155951281) has the molecular formula C10H6F3N7OS2 and a molecular weight of 361.33 g/mol. Its IUPAC name is 1-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea.

Molecular Properties

Compound Name1-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea
PubChem CID155951281
Molecular FormulaC10H6F3N7OS2
Molecular Weight361.33 g/mol
Exact Mass361.00
IUPAC Name1-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea
SMILESO=C(Nc1nnc(C(F)(F)F)s1)Nc1cn[nH]c1-c1nccs1
InChIInChI=1S/C10H6F3N7OS2/c11-10(12,13)7-19-20-9(23-7)17-8(21)16-4-3-15-18-5(4)6-14-1-2-22-6/h1-3H,(H,15,18)(H2,16,17,20,21)
InChIKeyLTORKCPSMFIUGV-UHFFFAOYSA-N
XLogP3.05
TPSA108.48 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.33
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

1-(5-methyl-1H-pyrazol-4-yl)-3-(1,3-thiazol-2-yl)urea
CID 75405901
4-(4-methyl-1,2,4-triazol-3-yl)-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]piperazine-1-carboxamide
CID 126835372
2,2-dimethyl-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide
CID 128117181
1-methyl-1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-3-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]urea
CID 167936844
N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide
CID 121581352
(3S)-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide
CID 124262009
(3R)-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide
CID 124262010
1-methyl-1-[(1-methyltriazol-4-yl)methyl]-3-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]urea
CID 132326440
1-[1-(2-hydroxyethyl)-5-methylpyrazol-4-yl]-3-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]urea
CID 154863916
1-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-3-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]urea
CID 167929903

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea?
The IUPAC name of 1-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea (CID 155951281) is 1-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea.
What is the SMILES notation for 1-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea?
The canonical SMILES for 1-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea is O=C(Nc1nnc(C(F)(F)F)s1)Nc1cn[nH]c1-c1nccs1.
What is the InChIKey of 1-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea?
The InChIKey is LTORKCPSMFIUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3N7OS2/c11-10(12,13)7-19-20-9(23-7)17-8(21)16-4-3-15-18-5(4)6-14-1-2-22-6/h1-3H,(H,15,18)(H2,16,17,20,21).
What are the key properties of 1-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea?
1-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea has a molecular weight of 361.33 g/mol, XLogP of 3.05, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea is sourced from PubChem (CID 155951281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).