N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide

C16H18N6OS2 — CID 46341659

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
SMILESCCc1nnc(NC(=O)C2CCCN(c3nc4cccnc4s3)C2)s1
InChIInChI=1S/C16H18N6OS2/c1-2-12-20-21-15(24-12)19-13(23)10-5-4-8-22(9-10)16-18-11-6-3-7-17-14(11)25-16/h3,6-7,10H,2,4-5,8-9H2,1H3,(H,19,21,23)
InChIKeyCGMPBFKHONCMGN-UHFFFAOYSA-N
MW374.50 g/mol
LogP2.96
Rot. Bonds4

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide (PubChem CID 46341659) has the molecular formula C16H18N6OS2 and a molecular weight of 374.50 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
PubChem CID46341659
Molecular FormulaC16H18N6OS2
Molecular Weight374.50 g/mol
Exact Mass374.10
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
SMILESCCc1nnc(NC(=O)C2CCCN(c3nc4cccnc4s3)C2)s1
InChIInChI=1S/C16H18N6OS2/c1-2-12-20-21-15(24-12)19-13(23)10-5-4-8-22(9-10)16-18-11-6-3-7-17-14(11)25-16/h3,6-7,10H,2,4-5,8-9H2,1H3,(H,19,21,23)
InChIKeyCGMPBFKHONCMGN-UHFFFAOYSA-N
XLogP2.96
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.50
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide (CID 46341659) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide is CCc1nnc(NC(=O)C2CCCN(c3nc4cccnc4s3)C2)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide?
The InChIKey is CGMPBFKHONCMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6OS2/c1-2-12-20-21-15(24-12)19-13(23)10-5-4-8-22(9-10)16-18-11-6-3-7-17-14(11)25-16/h3,6-7,10H,2,4-5,8-9H2,1H3,(H,19,21,23).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide has a molecular weight of 374.50 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 46341659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).