N-[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-4-yl]cyclopropanecarboxamide

C12H17ClN4OS — CID 37472475

IUPACN-[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-4-yl]cyclopropanecarboxamide
SMILESO=C(NC1CCN(Cc2nnsc2Cl)CC1)C1CC1
InChIInChI=1S/C12H17ClN4OS/c13-11-10(15-16-19-11)7-17-5-3-9(4-6-17)14-12(18)8-1-2-8/h8-9H,1-7H2,(H,14,18)
InChIKeyYQANAVKJYISKTR-UHFFFAOYSA-N
MW300.82 g/mol
LogP1.68
Rot. Bonds4

About N-[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-4-yl]cyclopropanecarboxamide

N-[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-4-yl]cyclopropanecarboxamide (PubChem CID 37472475) has the molecular formula C12H17ClN4OS and a molecular weight of 300.82 g/mol. Its IUPAC name is N-[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-4-yl]cyclopropanecarboxamide
PubChem CID37472475
Molecular FormulaC12H17ClN4OS
Molecular Weight300.82 g/mol
Exact Mass300.08
IUPAC NameN-[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-4-yl]cyclopropanecarboxamide
SMILESO=C(NC1CCN(Cc2nnsc2Cl)CC1)C1CC1
InChIInChI=1S/C12H17ClN4OS/c13-11-10(15-16-19-11)7-17-5-3-9(4-6-17)14-12(18)8-1-2-8/h8-9H,1-7H2,(H,14,18)
InChIKeyYQANAVKJYISKTR-UHFFFAOYSA-N
XLogP1.68
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.82
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(5-chlorothiadiazol-4-yl)methyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 16364921
1-[(5-chlorothiadiazol-4-yl)methyl]-N-methylpiperidine-4-carboxamide
CID 24580197
1-[(5-Chlorothiadiazol-4-yl)methyl]piperidine-4-carboxamide
CID 33736941
N-butyl-1-[(5-chlorothiadiazol-4-yl)methyl]piperidine-4-carboxamide
CID 37209920
N-butyl-2-[4-[(5-chlorothiadiazol-4-yl)methyl]piperazin-1-yl]acetamide
CID 43013261
1-[(5-Chlorothiadiazol-4-yl)methyl]piperidine-3-carboxamide
CID 43408269
Cyclopropyl-[4-(thiadiazol-4-ylmethylamino)piperidin-1-yl]methanone
CID 43747914
1-[(5-chlorothiadiazol-4-yl)methyl]-N,N-dimethylpiperidine-4-carboxamide
CID 45797150
[4-[(5-Chlorothiadiazol-4-yl)methyl]piperazin-1-yl]-cyclopropylmethanone
CID 45797175
1-[4-[(5-Chlorothiadiazol-4-yl)methyl]piperazin-1-yl]-2-methylpropan-1-one
CID 45797214
[1-[(5-Chlorothiadiazol-4-yl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 45801693
N-butan-2-yl-2-[4-[(5-chlorothiadiazol-4-yl)methyl]piperazin-1-yl]acetamide
CID 45808770

Frequently Asked Questions

What is the IUPAC name of N-[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-4-yl]cyclopropanecarboxamide (CID 37472475) is N-[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-4-yl]cyclopropanecarboxamide is O=C(NC1CCN(Cc2nnsc2Cl)CC1)C1CC1.
What is the InChIKey of N-[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-4-yl]cyclopropanecarboxamide?
The InChIKey is YQANAVKJYISKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4OS/c13-11-10(15-16-19-11)7-17-5-3-9(4-6-17)14-12(18)8-1-2-8/h8-9H,1-7H2,(H,14,18).
What are the key properties of N-[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-4-yl]cyclopropanecarboxamide?
N-[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-4-yl]cyclopropanecarboxamide has a molecular weight of 300.82 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 37472475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).