N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]-4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine-1-carboxamide

C14H18F3N7OS — CID 125138175

IUPACN-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]-4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine-1-carboxamide
SMILESC[C@@H](NC(=O)N1CCN(c2nnc(C(F)(F)F)s2)CC1)c1cnn(C)c1
InChIInChI=1S/C14H18F3N7OS/c1-9(10-7-18-22(2)8-10)19-12(25)23-3-5-24(6-4-23)13-21-20-11(26-13)14(15,16)17/h7-9H,3-6H2,1-2H3,(H,19,25)/t9-/m1/s1
InChIKeyNHFMWBLOPNQZEZ-SECBINFHSA-N
MW389.41 g/mol
LogP1.88
Rot. Bonds3

About N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]-4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine-1-carboxamide

N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]-4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine-1-carboxamide (PubChem CID 125138175) has the molecular formula C14H18F3N7OS and a molecular weight of 389.41 g/mol. Its IUPAC name is N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]-4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]-4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine-1-carboxamide
PubChem CID125138175
Molecular FormulaC14H18F3N7OS
Molecular Weight389.41 g/mol
Exact Mass389.12
IUPAC NameN-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]-4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine-1-carboxamide
SMILESC[C@@H](NC(=O)N1CCN(c2nnc(C(F)(F)F)s2)CC1)c1cnn(C)c1
InChIInChI=1S/C14H18F3N7OS/c1-9(10-7-18-22(2)8-10)19-12(25)23-3-5-24(6-4-23)13-21-20-11(26-13)14(15,16)17/h7-9H,3-6H2,1-2H3,(H,19,25)/t9-/m1/s1
InChIKeyNHFMWBLOPNQZEZ-SECBINFHSA-N
XLogP1.88
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]-4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine-1-carboxamide?
The IUPAC name of N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]-4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine-1-carboxamide (CID 125138175) is N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]-4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine-1-carboxamide.
What is the SMILES notation for N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]-4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine-1-carboxamide?
The canonical SMILES for N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]-4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine-1-carboxamide is C[C@@H](NC(=O)N1CCN(c2nnc(C(F)(F)F)s2)CC1)c1cnn(C)c1.
What is the InChIKey of N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]-4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine-1-carboxamide?
The InChIKey is NHFMWBLOPNQZEZ-SECBINFHSA-N. The full InChI is InChI=1S/C14H18F3N7OS/c1-9(10-7-18-22(2)8-10)19-12(25)23-3-5-24(6-4-23)13-21-20-11(26-13)14(15,16)17/h7-9H,3-6H2,1-2H3,(H,19,25)/t9-/m1/s1.
What are the key properties of N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]-4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine-1-carboxamide?
N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]-4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine-1-carboxamide has a molecular weight of 389.41 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]-4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine-1-carboxamide is sourced from PubChem (CID 125138175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).