4-(2,2-difluoroethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperazine-1-carboxamide

C10H15F2N5OS — CID 48954414

IUPAC4-(2,2-difluoroethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperazine-1-carboxamide
SMILESCc1nnc(NC(=O)N2CCN(CC(F)F)CC2)s1
InChIInChI=1S/C10H15F2N5OS/c1-7-14-15-9(19-7)13-10(18)17-4-2-16(3-5-17)6-8(11)12/h8H,2-6H2,1H3,(H,13,15,18)
InChIKeyRQQCEFFYLDTPHH-UHFFFAOYSA-N
MW291.33 g/mol
LogP1.26
Rot. Bonds3

About 4-(2,2-difluoroethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperazine-1-carboxamide

4-(2,2-difluoroethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperazine-1-carboxamide (PubChem CID 48954414) has the molecular formula C10H15F2N5OS and a molecular weight of 291.33 g/mol. Its IUPAC name is 4-(2,2-difluoroethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2,2-difluoroethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperazine-1-carboxamide
PubChem CID48954414
Molecular FormulaC10H15F2N5OS
Molecular Weight291.33 g/mol
Exact Mass291.10
IUPAC Name4-(2,2-difluoroethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperazine-1-carboxamide
SMILESCc1nnc(NC(=O)N2CCN(CC(F)F)CC2)s1
InChIInChI=1S/C10H15F2N5OS/c1-7-14-15-9(19-7)13-10(18)17-4-2-16(3-5-17)6-8(11)12/h8H,2-6H2,1H3,(H,13,15,18)
InChIKeyRQQCEFFYLDTPHH-UHFFFAOYSA-N
XLogP1.26
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(4-Ethylpiperazin-1-yl)propyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
CID 45821033
N-(2-piperidin-1-ylethyl)-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea
CID 31015653
2-ethyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide
CID 72051972
1-[(3R)-1-propan-2-ylpiperidin-3-yl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea
CID 68065558
1-[(3R)-1-methylpiperidin-3-yl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea
CID 68066247
1-(1-Methylpiperidin-3-yl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea
CID 77452257
1-(2-Methylpropyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(2,2,2-trifluoroethyl)urea
CID 47073585
3-(5-Methyl-1,3,4-thiadiazol-2-yl)-1-propyl-1-(2,2,2-trifluoroethyl)urea
CID 47085494
1,1-Diethyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea
CID 60274825
4-[2-(diethylamino)-2-oxoethyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine-1-carboxamide
CID 60327136
1-[2-(Diethylamino)ethyl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea
CID 60562951
N-methyl-5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3,4-thiadiazol-2-amine
CID 80606829

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperazine-1-carboxamide?
The IUPAC name of 4-(2,2-difluoroethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperazine-1-carboxamide (CID 48954414) is 4-(2,2-difluoroethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2,2-difluoroethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2,2-difluoroethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperazine-1-carboxamide is Cc1nnc(NC(=O)N2CCN(CC(F)F)CC2)s1.
What is the InChIKey of 4-(2,2-difluoroethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperazine-1-carboxamide?
The InChIKey is RQQCEFFYLDTPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N5OS/c1-7-14-15-9(19-7)13-10(18)17-4-2-16(3-5-17)6-8(11)12/h8H,2-6H2,1H3,(H,13,15,18).
What are the key properties of 4-(2,2-difluoroethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperazine-1-carboxamide?
4-(2,2-difluoroethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperazine-1-carboxamide has a molecular weight of 291.33 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 48954414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).