N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]-4-propylthiadiazole-5-carboxamide

C15H25N5O3S — CID 118777401

IUPACN-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)N[C@@H]1CCN(CC(=O)N(C)C)C[C@H]1O
InChIInChI=1S/C15H25N5O3S/c1-4-5-11-14(24-18-17-11)15(23)16-10-6-7-20(8-12(10)21)9-13(22)19(2)3/h10,12,21H,4-9H2,1-3H3,(H,16,23)/t10-,12-/m1/s1
InChIKeySPFHGHSAQXFTEV-ZYHUDNBSSA-N
MW355.46 g/mol
LogP-0.26
Rot. Bonds6

About N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]-4-propylthiadiazole-5-carboxamide

N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]-4-propylthiadiazole-5-carboxamide (PubChem CID 118777401) has the molecular formula C15H25N5O3S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]-4-propylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]-4-propylthiadiazole-5-carboxamide
PubChem CID118777401
Molecular FormulaC15H25N5O3S
Molecular Weight355.46 g/mol
Exact Mass355.17
IUPAC NameN-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)N[C@@H]1CCN(CC(=O)N(C)C)C[C@H]1O
InChIInChI=1S/C15H25N5O3S/c1-4-5-11-14(24-18-17-11)15(23)16-10-6-7-20(8-12(10)21)9-13(22)19(2)3/h10,12,21H,4-9H2,1-3H3,(H,16,23)/t10-,12-/m1/s1
InChIKeySPFHGHSAQXFTEV-ZYHUDNBSSA-N
XLogP-0.26
TPSA98.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]-4-propylthiadiazole-5-carboxamide?
The IUPAC name of N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]-4-propylthiadiazole-5-carboxamide (CID 118777401) is N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]-4-propylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]-4-propylthiadiazole-5-carboxamide?
The canonical SMILES for N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]-4-propylthiadiazole-5-carboxamide is CCCc1nnsc1C(=O)N[C@@H]1CCN(CC(=O)N(C)C)C[C@H]1O.
What is the InChIKey of N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]-4-propylthiadiazole-5-carboxamide?
The InChIKey is SPFHGHSAQXFTEV-ZYHUDNBSSA-N. The full InChI is InChI=1S/C15H25N5O3S/c1-4-5-11-14(24-18-17-11)15(23)16-10-6-7-20(8-12(10)21)9-13(22)19(2)3/h10,12,21H,4-9H2,1-3H3,(H,16,23)/t10-,12-/m1/s1.
What are the key properties of N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]-4-propylthiadiazole-5-carboxamide?
N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]-4-propylthiadiazole-5-carboxamide has a molecular weight of 355.46 g/mol, XLogP of -0.26, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]-4-propylthiadiazole-5-carboxamide is sourced from PubChem (CID 118777401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).