3-(4-methylpyrazol-1-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide

C10H10F3N5OS — CID 87040598

IUPAC3-(4-methylpyrazol-1-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide
SMILESCc1cnn(CCC(=O)Nc2nnc(C(F)(F)F)s2)c1
InChIInChI=1S/C10H10F3N5OS/c1-6-4-14-18(5-6)3-2-7(19)15-9-17-16-8(20-9)10(11,12)13/h4-5H,2-3H2,1H3,(H,15,17,19)
InChIKeyTXNDNYQEIOQVKI-UHFFFAOYSA-N
MW305.29 g/mol
LogP2.09
Rot. Bonds4

About 3-(4-methylpyrazol-1-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide

3-(4-methylpyrazol-1-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide (PubChem CID 87040598) has the molecular formula C10H10F3N5OS and a molecular weight of 305.29 g/mol. Its IUPAC name is 3-(4-methylpyrazol-1-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-(4-methylpyrazol-1-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide
PubChem CID87040598
Molecular FormulaC10H10F3N5OS
Molecular Weight305.29 g/mol
Exact Mass305.06
IUPAC Name3-(4-methylpyrazol-1-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide
SMILESCc1cnn(CCC(=O)Nc2nnc(C(F)(F)F)s2)c1
InChIInChI=1S/C10H10F3N5OS/c1-6-4-14-18(5-6)3-2-7(19)15-9-17-16-8(20-9)10(11,12)13/h4-5H,2-3H2,1H3,(H,15,17,19)
InChIKeyTXNDNYQEIOQVKI-UHFFFAOYSA-N
XLogP2.09
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-chloropyrazolyl)-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 4768485
1-ethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyrazole-4-carboxamide
CID 4772210
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(1H-pyrazol-1-yl)acetamide
CID 39723877
2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 56780767
5-(difluoromethyl)-N-[(1-propylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 75506133
N-{5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl}-1-ethyl-1H-pyrazole-4-carboxamide
CID 132422446
2-pyrazol-1-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 141085092
5-[[1-(2,2-Difluoroethyl)-4-methylpyrazol-3-yl]amino]-1,3,4-thiadiazole-2-carboxylic acid
CID 172310099
1-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-4-carboxamide
CID 36472135
2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 38783417
N-[(1-propylpyrazol-4-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 75505618
N-(4-carbamothioyl-1-methylpyrazol-5-yl)-3,3,3-trifluoropropanamide
CID 79500044

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpyrazol-1-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide?
The IUPAC name of 3-(4-methylpyrazol-1-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide (CID 87040598) is 3-(4-methylpyrazol-1-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide.
What is the SMILES notation for 3-(4-methylpyrazol-1-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide?
The canonical SMILES for 3-(4-methylpyrazol-1-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide is Cc1cnn(CCC(=O)Nc2nnc(C(F)(F)F)s2)c1.
What is the InChIKey of 3-(4-methylpyrazol-1-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide?
The InChIKey is TXNDNYQEIOQVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5OS/c1-6-4-14-18(5-6)3-2-7(19)15-9-17-16-8(20-9)10(11,12)13/h4-5H,2-3H2,1H3,(H,15,17,19).
What are the key properties of 3-(4-methylpyrazol-1-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide?
3-(4-methylpyrazol-1-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide has a molecular weight of 305.29 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpyrazol-1-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide is sourced from PubChem (CID 87040598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).