N-(piperidin-3-ylmethyl)-N-propan-2-ylthiadiazole-4-carboxamide

C12H20N4OS — CID 106628888

IUPACN-(piperidin-3-ylmethyl)-N-propan-2-ylthiadiazole-4-carboxamide
SMILESCC(C)N(CC1CCCNC1)C(=O)c1csnn1
InChIInChI=1S/C12H20N4OS/c1-9(2)16(7-10-4-3-5-13-6-10)12(17)11-8-18-15-14-11/h8-10,13H,3-7H2,1-2H3
InChIKeyLNELYVJEVSLELK-UHFFFAOYSA-N
MW268.39 g/mol
LogP1.39
Rot. Bonds4

About N-(piperidin-3-ylmethyl)-N-propan-2-ylthiadiazole-4-carboxamide

N-(piperidin-3-ylmethyl)-N-propan-2-ylthiadiazole-4-carboxamide (PubChem CID 106628888) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is N-(piperidin-3-ylmethyl)-N-propan-2-ylthiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-(piperidin-3-ylmethyl)-N-propan-2-ylthiadiazole-4-carboxamide
PubChem CID106628888
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC NameN-(piperidin-3-ylmethyl)-N-propan-2-ylthiadiazole-4-carboxamide
SMILESCC(C)N(CC1CCCNC1)C(=O)c1csnn1
InChIInChI=1S/C12H20N4OS/c1-9(2)16(7-10-4-3-5-13-6-10)12(17)11-8-18-15-14-11/h8-10,13H,3-7H2,1-2H3
InChIKeyLNELYVJEVSLELK-UHFFFAOYSA-N
XLogP1.39
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(piperidin-3-ylmethyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 106629024
3-chloro-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-2-carboxamide
CID 106629031
4,5-dimethyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-2-carboxamide
CID 106628858
1,5-dimethyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyrrole-2-carboxamide
CID 106628957
N-(piperidin-3-ylmethyl)-N-propan-2-ylcyclobutanecarboxamide
CID 106629002
N-(piperidin-3-ylmethyl)-N-propan-2-ylthieno[3,2-b]thiophene-5-carboxamide
CID 106629058
3-bromo-2-fluoro-N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzamide
CID 107956383
3-cyano-N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzamide
CID 106628943
N-(piperidin-3-ylmethyl)-N-propan-2-ylthiolane-2-carboxamide
CID 106629118
2-(2-hydroxyphenyl)-N-(piperidin-3-ylmethyl)-N-propan-2-ylacetamide
CID 106629125
N-(piperidin-3-ylmethyl)-N-propan-2-yl-2-propan-2-yloxyacetamide
CID 106628870
1-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylcyclopentane-1-carboxamide
CID 106629148

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-3-ylmethyl)-N-propan-2-ylthiadiazole-4-carboxamide?
The IUPAC name of N-(piperidin-3-ylmethyl)-N-propan-2-ylthiadiazole-4-carboxamide (CID 106628888) is N-(piperidin-3-ylmethyl)-N-propan-2-ylthiadiazole-4-carboxamide.
What is the SMILES notation for N-(piperidin-3-ylmethyl)-N-propan-2-ylthiadiazole-4-carboxamide?
The canonical SMILES for N-(piperidin-3-ylmethyl)-N-propan-2-ylthiadiazole-4-carboxamide is CC(C)N(CC1CCCNC1)C(=O)c1csnn1.
What is the InChIKey of N-(piperidin-3-ylmethyl)-N-propan-2-ylthiadiazole-4-carboxamide?
The InChIKey is LNELYVJEVSLELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-9(2)16(7-10-4-3-5-13-6-10)12(17)11-8-18-15-14-11/h8-10,13H,3-7H2,1-2H3.
What are the key properties of N-(piperidin-3-ylmethyl)-N-propan-2-ylthiadiazole-4-carboxamide?
N-(piperidin-3-ylmethyl)-N-propan-2-ylthiadiazole-4-carboxamide has a molecular weight of 268.39 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-3-ylmethyl)-N-propan-2-ylthiadiazole-4-carboxamide is sourced from PubChem (CID 106628888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).