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

C15H18F3N5O2S — CID 50960254

IUPACN-(furan-2-ylmethyl)-3-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]propanamide
SMILESO=C(CCN1CCN(c2nnc(C(F)(F)F)s2)CC1)NCc1ccco1
InChIInChI=1S/C15H18F3N5O2S/c16-15(17,18)13-20-21-14(26-13)23-7-5-22(6-8-23)4-3-12(24)19-10-11-2-1-9-25-11/h1-2,9H,3-8,10H2,(H,19,24)
InChIKeyRQXNMACATIHCIB-UHFFFAOYSA-N
MW389.40 g/mol
LogP1.98
Rot. Bonds6

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

N-(furan-2-ylmethyl)-3-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]propanamide (PubChem CID 50960254) has the molecular formula C15H18F3N5O2S and a molecular weight of 389.40 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]propanamide
PubChem CID50960254
Molecular FormulaC15H18F3N5O2S
Molecular Weight389.40 g/mol
Exact Mass389.11
IUPAC NameN-(furan-2-ylmethyl)-3-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]propanamide
SMILESO=C(CCN1CCN(c2nnc(C(F)(F)F)s2)CC1)NCc1ccco1
InChIInChI=1S/C15H18F3N5O2S/c16-15(17,18)13-20-21-14(26-13)23-7-5-22(6-8-23)4-3-12(24)19-10-11-2-1-9-25-11/h1-2,9H,3-8,10H2,(H,19,24)
InChIKeyRQXNMACATIHCIB-UHFFFAOYSA-N
XLogP1.98
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.40
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]propanamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]propanamide (CID 50960254) is N-(furan-2-ylmethyl)-3-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]propanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]propanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]propanamide is O=C(CCN1CCN(c2nnc(C(F)(F)F)s2)CC1)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]propanamide?
The InChIKey is RQXNMACATIHCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N5O2S/c16-15(17,18)13-20-21-14(26-13)23-7-5-22(6-8-23)4-3-12(24)19-10-11-2-1-9-25-11/h1-2,9H,3-8,10H2,(H,19,24).
What are the key properties of N-(furan-2-ylmethyl)-3-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]propanamide?
N-(furan-2-ylmethyl)-3-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]propanamide has a molecular weight of 389.40 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]propanamide is sourced from PubChem (CID 50960254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).