4-[5-(cyclopentylcarbamoylamino)-1,3,4-thiadiazol-2-yl]-N-ethylpiperazine-1-carboxamide

C15H25N7O2S — CID 45257175

IUPAC4-[5-(cyclopentylcarbamoylamino)-1,3,4-thiadiazol-2-yl]-N-ethylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(c2nnc(NC(=O)NC3CCCC3)s2)CC1
InChIInChI=1S/C15H25N7O2S/c1-2-16-14(24)21-7-9-22(10-8-21)15-20-19-13(25-15)18-12(23)17-11-5-3-4-6-11/h11H,2-10H2,1H3,(H,16,24)(H2,17,18,19,23)
InChIKeyLQFSECFFKCXKTJ-UHFFFAOYSA-N
MW367.48 g/mol
LogP1.45
Rot. Bonds4

About 4-[5-(cyclopentylcarbamoylamino)-1,3,4-thiadiazol-2-yl]-N-ethylpiperazine-1-carboxamide

4-[5-(cyclopentylcarbamoylamino)-1,3,4-thiadiazol-2-yl]-N-ethylpiperazine-1-carboxamide (PubChem CID 45257175) has the molecular formula C15H25N7O2S and a molecular weight of 367.48 g/mol. Its IUPAC name is 4-[5-(cyclopentylcarbamoylamino)-1,3,4-thiadiazol-2-yl]-N-ethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[5-(cyclopentylcarbamoylamino)-1,3,4-thiadiazol-2-yl]-N-ethylpiperazine-1-carboxamide
PubChem CID45257175
Molecular FormulaC15H25N7O2S
Molecular Weight367.48 g/mol
Exact Mass367.18
IUPAC Name4-[5-(cyclopentylcarbamoylamino)-1,3,4-thiadiazol-2-yl]-N-ethylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(c2nnc(NC(=O)NC3CCCC3)s2)CC1
InChIInChI=1S/C15H25N7O2S/c1-2-16-14(24)21-7-9-22(10-8-21)15-20-19-13(25-15)18-12(23)17-11-5-3-4-6-11/h11H,2-10H2,1H3,(H,16,24)(H2,17,18,19,23)
InChIKeyLQFSECFFKCXKTJ-UHFFFAOYSA-N
XLogP1.45
TPSA102.49 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(cyclopentylcarbamoylamino)-1,3,4-thiadiazol-2-yl]-N-ethylpiperazine-1-carboxamide?
The IUPAC name of 4-[5-(cyclopentylcarbamoylamino)-1,3,4-thiadiazol-2-yl]-N-ethylpiperazine-1-carboxamide (CID 45257175) is 4-[5-(cyclopentylcarbamoylamino)-1,3,4-thiadiazol-2-yl]-N-ethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[5-(cyclopentylcarbamoylamino)-1,3,4-thiadiazol-2-yl]-N-ethylpiperazine-1-carboxamide?
The canonical SMILES for 4-[5-(cyclopentylcarbamoylamino)-1,3,4-thiadiazol-2-yl]-N-ethylpiperazine-1-carboxamide is CCNC(=O)N1CCN(c2nnc(NC(=O)NC3CCCC3)s2)CC1.
What is the InChIKey of 4-[5-(cyclopentylcarbamoylamino)-1,3,4-thiadiazol-2-yl]-N-ethylpiperazine-1-carboxamide?
The InChIKey is LQFSECFFKCXKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N7O2S/c1-2-16-14(24)21-7-9-22(10-8-21)15-20-19-13(25-15)18-12(23)17-11-5-3-4-6-11/h11H,2-10H2,1H3,(H,16,24)(H2,17,18,19,23).
What are the key properties of 4-[5-(cyclopentylcarbamoylamino)-1,3,4-thiadiazol-2-yl]-N-ethylpiperazine-1-carboxamide?
4-[5-(cyclopentylcarbamoylamino)-1,3,4-thiadiazol-2-yl]-N-ethylpiperazine-1-carboxamide has a molecular weight of 367.48 g/mol, XLogP of 1.45, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(cyclopentylcarbamoylamino)-1,3,4-thiadiazol-2-yl]-N-ethylpiperazine-1-carboxamide is sourced from PubChem (CID 45257175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).