N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide;hydrochloride

C9H13ClF2N4OS — CID 119301351

IUPACN-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1nnc(C(F)F)s1)C1CCCNC1
InChIInChI=1S/C9H12F2N4OS.ClH/c10-6(11)8-14-15-9(17-8)13-7(16)5-2-1-3-12-4-5;/h5-6,12H,1-4H2,(H,13,15,16);1H
InChIKeyNJDFXNUVYCXPDH-UHFFFAOYSA-N
MW298.75 g/mol
LogP1.84
Rot. Bonds3

About N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide;hydrochloride

N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119301351) has the molecular formula C9H13ClF2N4OS and a molecular weight of 298.75 g/mol. Its IUPAC name is N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide;hydrochloride
PubChem CID119301351
Molecular FormulaC9H13ClF2N4OS
Molecular Weight298.75 g/mol
Exact Mass298.05
IUPAC NameN-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1nnc(C(F)F)s1)C1CCCNC1
InChIInChI=1S/C9H12F2N4OS.ClH/c10-6(11)8-14-15-9(17-8)13-7(16)5-2-1-3-12-4-5;/h5-6,12H,1-4H2,(H,13,15,16);1H
InChIKeyNJDFXNUVYCXPDH-UHFFFAOYSA-N
XLogP1.84
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.75
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide;hydrochloride
CID 119279901
(3R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 107641885
(3R)-N-(thiatriazol-5-yl)piperidine-3-carboxamide
CID 104982975
N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide;hydrochloride
CID 119261708
9-amino-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120987466
N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide;hydrochloride
CID 119319932
(2R,5S)-5-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]carbamoyl]oxolane-2-carboxylic acid
CID 126816631
N-[4-(difluoromethylsulfanyl)phenyl]piperidine-3-carboxamide
CID 43698982
(3R)-N-[4-(difluoromethoxy)phenyl]piperidine-3-carboxamide
CID 81123871
N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)piperidine-3-carboxamide
CID 119300571
N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]piperidine-3-carboxamide
CID 119273428
1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-[(3S,4R)-4-(4-fluorophenyl)piperidin-3-yl]urea
CID 167981275

Frequently Asked Questions

What is the IUPAC name of N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide;hydrochloride (CID 119301351) is N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide;hydrochloride is Cl.O=C(Nc1nnc(C(F)F)s1)C1CCCNC1.
What is the InChIKey of N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is NJDFXNUVYCXPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N4OS.ClH/c10-6(11)8-14-15-9(17-8)13-7(16)5-2-1-3-12-4-5;/h5-6,12H,1-4H2,(H,13,15,16);1H.
What are the key properties of N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide;hydrochloride?
N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 298.75 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119301351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).