N-[1-[(5-chlorothiadiazol-4-yl)methyl]-6-methylpiperidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide

C14H18ClN5O2S — CID 167991128

IUPACN-[1-[(5-chlorothiadiazol-4-yl)methyl]-6-methylpiperidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)NC1CCC(C)N(Cc2nnsc2Cl)C1
InChIInChI=1S/C14H18ClN5O2S/c1-8-3-4-10(17-14(21)12-9(2)16-7-22-12)5-20(8)6-11-13(15)23-19-18-11/h7-8,10H,3-6H2,1-2H3,(H,17,21)
InChIKeyJJYBMPXNLQQYIB-UHFFFAOYSA-N
MW355.85 g/mol
LogP2.27
Rot. Bonds4

About N-[1-[(5-chlorothiadiazol-4-yl)methyl]-6-methylpiperidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide

N-[1-[(5-chlorothiadiazol-4-yl)methyl]-6-methylpiperidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide (PubChem CID 167991128) has the molecular formula C14H18ClN5O2S and a molecular weight of 355.85 g/mol. Its IUPAC name is N-[1-[(5-chlorothiadiazol-4-yl)methyl]-6-methylpiperidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-[(5-chlorothiadiazol-4-yl)methyl]-6-methylpiperidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide
PubChem CID167991128
Molecular FormulaC14H18ClN5O2S
Molecular Weight355.85 g/mol
Exact Mass355.09
IUPAC NameN-[1-[(5-chlorothiadiazol-4-yl)methyl]-6-methylpiperidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)NC1CCC(C)N(Cc2nnsc2Cl)C1
InChIInChI=1S/C14H18ClN5O2S/c1-8-3-4-10(17-14(21)12-9(2)16-7-22-12)5-20(8)6-11-13(15)23-19-18-11/h7-8,10H,3-6H2,1-2H3,(H,17,21)
InChIKeyJJYBMPXNLQQYIB-UHFFFAOYSA-N
XLogP2.27
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.85
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(5-chlorothiadiazol-4-yl)methyl]-6-methylpiperidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[1-[(5-chlorothiadiazol-4-yl)methyl]-6-methylpiperidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide (CID 167991128) is N-[1-[(5-chlorothiadiazol-4-yl)methyl]-6-methylpiperidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[1-[(5-chlorothiadiazol-4-yl)methyl]-6-methylpiperidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[1-[(5-chlorothiadiazol-4-yl)methyl]-6-methylpiperidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide is Cc1ncoc1C(=O)NC1CCC(C)N(Cc2nnsc2Cl)C1.
What is the InChIKey of N-[1-[(5-chlorothiadiazol-4-yl)methyl]-6-methylpiperidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide?
The InChIKey is JJYBMPXNLQQYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5O2S/c1-8-3-4-10(17-14(21)12-9(2)16-7-22-12)5-20(8)6-11-13(15)23-19-18-11/h7-8,10H,3-6H2,1-2H3,(H,17,21).
What are the key properties of N-[1-[(5-chlorothiadiazol-4-yl)methyl]-6-methylpiperidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide?
N-[1-[(5-chlorothiadiazol-4-yl)methyl]-6-methylpiperidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide has a molecular weight of 355.85 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(5-chlorothiadiazol-4-yl)methyl]-6-methylpiperidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 167991128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).