N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiadiazole-5-carboxamide;hydrochloride

C10H15ClF3N5OS — CID 120811588

IUPACN-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiadiazole-5-carboxamide;hydrochloride
SMILESCl.O=C(NCC(N1CCNCC1)C(F)(F)F)c1cnns1
InChIInChI=1S/C10H14F3N5OS.ClH/c11-10(12,13)8(18-3-1-14-2-4-18)6-15-9(19)7-5-16-17-20-7;/h5,8,14H,1-4,6H2,(H,15,19);1H
InChIKeyYFYHQGMKGZIVRZ-UHFFFAOYSA-N
MW345.78 g/mol
LogP0.53
Rot. Bonds4

About N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiadiazole-5-carboxamide;hydrochloride

N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiadiazole-5-carboxamide;hydrochloride (PubChem CID 120811588) has the molecular formula C10H15ClF3N5OS and a molecular weight of 345.78 g/mol. Its IUPAC name is N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiadiazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiadiazole-5-carboxamide;hydrochloride
PubChem CID120811588
Molecular FormulaC10H15ClF3N5OS
Molecular Weight345.78 g/mol
Exact Mass345.06
IUPAC NameN-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiadiazole-5-carboxamide;hydrochloride
SMILESCl.O=C(NCC(N1CCNCC1)C(F)(F)F)c1cnns1
InChIInChI=1S/C10H14F3N5OS.ClH/c11-10(12,13)8(18-3-1-14-2-4-18)6-15-9(19)7-5-16-17-20-7;/h5,8,14H,1-4,6H2,(H,15,19);1H
InChIKeyYFYHQGMKGZIVRZ-UHFFFAOYSA-N
XLogP0.53
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.78
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-3-methyl-4-(thiadiazol-5-ylmethyl)piperazin-2-one
CID 164639743
N-(3-amino-2,2-difluoropropyl)thiadiazole-5-carboxamide
CID 114383417
N-(3-amino-2,2-difluoropropyl)thiadiazole-5-carboxamide;hydrochloride
CID 120409382
N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiadiazole-5-carboxamide
CID 120811589
N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide
CID 126782209
N-(3,3-difluorobutan-2-yl)thiadiazole-5-carboxamide
CID 126793926
N-[(2S)-1-fluoropropan-2-yl]thiadiazole-5-carboxamide
CID 126996410
N-(1-fluoropropan-2-yl)thiadiazole-5-carboxamide
CID 130621548
N-(2-fluoroethyl)thiadiazole-5-carboxamide
CID 130693984
N-(2,2-difluoroethyl)thiadiazole-5-carboxamide
CID 130945825
N-(1,1,1-trifluoropentan-3-yl)thiadiazole-5-carboxamide
CID 136531037
N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]thiadiazole-5-carboxamide
CID 136534098

Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiadiazole-5-carboxamide;hydrochloride?
The IUPAC name of N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiadiazole-5-carboxamide;hydrochloride (CID 120811588) is N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiadiazole-5-carboxamide;hydrochloride.
What is the SMILES notation for N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiadiazole-5-carboxamide;hydrochloride?
The canonical SMILES for N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiadiazole-5-carboxamide;hydrochloride is Cl.O=C(NCC(N1CCNCC1)C(F)(F)F)c1cnns1.
What is the InChIKey of N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiadiazole-5-carboxamide;hydrochloride?
The InChIKey is YFYHQGMKGZIVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N5OS.ClH/c11-10(12,13)8(18-3-1-14-2-4-18)6-15-9(19)7-5-16-17-20-7;/h5,8,14H,1-4,6H2,(H,15,19);1H.
What are the key properties of N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiadiazole-5-carboxamide;hydrochloride?
N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiadiazole-5-carboxamide;hydrochloride has a molecular weight of 345.78 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiadiazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 120811588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).