[4-(3-amino-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone

C17H20N8OS — CID 154822017

IUPAC[4-(3-amino-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone
SMILESCCc1nc(-c2ncccn2)sc1C(=O)N1CCC(c2nc(N)n[nH]2)CC1
InChIInChI=1S/C17H20N8OS/c1-2-11-12(27-15(21-11)14-19-6-3-7-20-14)16(26)25-8-4-10(5-9-25)13-22-17(18)24-23-13/h3,6-7,10H,2,4-5,8-9H2,1H3,(H3,18,22,23,24)
InChIKeyXXDQNHCBMPHNGY-UHFFFAOYSA-N
MW384.47 g/mol
LogP1.88
Rot. Bonds4

About [4-(3-amino-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone

[4-(3-amino-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone (PubChem CID 154822017) has the molecular formula C17H20N8OS and a molecular weight of 384.47 g/mol. Its IUPAC name is [4-(3-amino-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(3-amino-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone
PubChem CID154822017
Molecular FormulaC17H20N8OS
Molecular Weight384.47 g/mol
Exact Mass384.15
IUPAC Name[4-(3-amino-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone
SMILESCCc1nc(-c2ncccn2)sc1C(=O)N1CCC(c2nc(N)n[nH]2)CC1
InChIInChI=1S/C17H20N8OS/c1-2-11-12(27-15(21-11)14-19-6-3-7-20-14)16(26)25-8-4-10(5-9-25)13-22-17(18)24-23-13/h3,6-7,10H,2,4-5,8-9H2,1H3,(H3,18,22,23,24)
InChIKeyXXDQNHCBMPHNGY-UHFFFAOYSA-N
XLogP1.88
TPSA126.57 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.47
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Launch Full Analysis

Related Compounds

(4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 154821155
(4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-[2-(4-fluorophenyl)piperidin-1-yl]methanone
CID 154820006
9-(4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 155508952
1-(4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)propan-1-one
CID 170389034
2-[1-(4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)piperidin-4-yl]acetic acid
CID 119177890
(4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)methanone
CID 59579880
1-[4-[4-(3-amino-1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-3,5-dimethyl-1H-pyrrol-2-yl]ethanone
CID 118792324
2-[4-(3-amino-1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-6-methylpyran-4-one
CID 118780734
[4-(cyclopropylmethylamino)piperidin-1-yl]-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone
CID 119625359
methyl 1-(2-amino-4-ethyl-1,3-thiazole-5-carbonyl)piperidine-4-carboxylate
CID 171703961
5-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]thiophene-2-carboxamide
CID 136522646
4-ethyl-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 155505936

Frequently Asked Questions

What is the IUPAC name of [4-(3-amino-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone?
The IUPAC name of [4-(3-amino-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone (CID 154822017) is [4-(3-amino-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [4-(3-amino-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for [4-(3-amino-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone is CCc1nc(-c2ncccn2)sc1C(=O)N1CCC(c2nc(N)n[nH]2)CC1.
What is the InChIKey of [4-(3-amino-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone?
The InChIKey is XXDQNHCBMPHNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N8OS/c1-2-11-12(27-15(21-11)14-19-6-3-7-20-14)16(26)25-8-4-10(5-9-25)13-22-17(18)24-23-13/h3,6-7,10H,2,4-5,8-9H2,1H3,(H3,18,22,23,24).
What are the key properties of [4-(3-amino-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone?
[4-(3-amino-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone has a molecular weight of 384.47 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-amino-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 154822017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).