N-[5-[(3S)-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide

C15H17N7O3S2 — CID 142415495

IUPACN-[5-[(3S)-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(S(=O)(=O)N2CCC[C@H](c3ccnc4ncnn34)C2)s1
InChIInChI=1S/C15H17N7O3S2/c1-10(23)20-15-17-7-13(26-15)27(24,25)21-6-2-3-11(8-21)12-4-5-16-14-18-9-19-22(12)14/h4-5,7,9,11H,2-3,6,8H2,1H3,(H,17,20,23)/t11-/m0/s1
InChIKeyKSMRDYFGKVUQOW-NSHDSACASA-N
MW407.48 g/mol
LogP1.11
Rot. Bonds4

About N-[5-[(3S)-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide

N-[5-[(3S)-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide (PubChem CID 142415495) has the molecular formula C15H17N7O3S2 and a molecular weight of 407.48 g/mol. Its IUPAC name is N-[5-[(3S)-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[(3S)-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide
PubChem CID142415495
Molecular FormulaC15H17N7O3S2
Molecular Weight407.48 g/mol
Exact Mass407.08
IUPAC NameN-[5-[(3S)-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(S(=O)(=O)N2CCC[C@H](c3ccnc4ncnn34)C2)s1
InChIInChI=1S/C15H17N7O3S2/c1-10(23)20-15-17-7-13(26-15)27(24,25)21-6-2-3-11(8-21)12-4-5-16-14-18-9-19-22(12)14/h4-5,7,9,11H,2-3,6,8H2,1H3,(H,17,20,23)/t11-/m0/s1
InChIKeyKSMRDYFGKVUQOW-NSHDSACASA-N
XLogP1.11
TPSA122.45 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.48
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(3S)-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[(3S)-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide (CID 142415495) is N-[5-[(3S)-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[(3S)-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[(3S)-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(S(=O)(=O)N2CCC[C@H](c3ccnc4ncnn34)C2)s1.
What is the InChIKey of N-[5-[(3S)-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide?
The InChIKey is KSMRDYFGKVUQOW-NSHDSACASA-N. The full InChI is InChI=1S/C15H17N7O3S2/c1-10(23)20-15-17-7-13(26-15)27(24,25)21-6-2-3-11(8-21)12-4-5-16-14-18-9-19-22(12)14/h4-5,7,9,11H,2-3,6,8H2,1H3,(H,17,20,23)/t11-/m0/s1.
What are the key properties of N-[5-[(3S)-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide?
N-[5-[(3S)-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 407.48 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3S)-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 142415495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).