4-methyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]thiadiazole-5-carboxamide

C14H19N5OS2 — CID 86776557

IUPAC4-methyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1nc(CN2CCCC(C)C2)cs1
InChIInChI=1S/C14H19N5OS2/c1-9-4-3-5-19(6-9)7-11-8-21-14(15-11)16-13(20)12-10(2)17-18-22-12/h8-9H,3-7H2,1-2H3,(H,15,16,20)
InChIKeySUHUNUQTMBTWSY-UHFFFAOYSA-N
MW337.47 g/mol
LogP2.79
Rot. Bonds4

About 4-methyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]thiadiazole-5-carboxamide

4-methyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]thiadiazole-5-carboxamide (PubChem CID 86776557) has the molecular formula C14H19N5OS2 and a molecular weight of 337.47 g/mol. Its IUPAC name is 4-methyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]thiadiazole-5-carboxamide
PubChem CID86776557
Molecular FormulaC14H19N5OS2
Molecular Weight337.47 g/mol
Exact Mass337.10
IUPAC Name4-methyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1nc(CN2CCCC(C)C2)cs1
InChIInChI=1S/C14H19N5OS2/c1-9-4-3-5-19(6-9)7-11-8-21-14(15-11)16-13(20)12-10(2)17-18-22-12/h8-9H,3-7H2,1-2H3,(H,15,16,20)
InChIKeySUHUNUQTMBTWSY-UHFFFAOYSA-N
XLogP2.79
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]thiadiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]thiadiazole-5-carboxamide (CID 86776557) is 4-methyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]thiadiazole-5-carboxamide is Cc1nnsc1C(=O)Nc1nc(CN2CCCC(C)C2)cs1.
What is the InChIKey of 4-methyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]thiadiazole-5-carboxamide?
The InChIKey is SUHUNUQTMBTWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS2/c1-9-4-3-5-19(6-9)7-11-8-21-14(15-11)16-13(20)12-10(2)17-18-22-12/h8-9H,3-7H2,1-2H3,(H,15,16,20).
What are the key properties of 4-methyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]thiadiazole-5-carboxamide?
4-methyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]thiadiazole-5-carboxamide has a molecular weight of 337.47 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]thiadiazole-5-carboxamide is sourced from PubChem (CID 86776557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).