[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-(4-propan-2-yl-1,3-thiazol-2-yl)methanone

C18H26N4OS — CID 56717963

IUPAC[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-(4-propan-2-yl-1,3-thiazol-2-yl)methanone
SMILESCC(C)c1cc(C2CCN(C(=O)c3nc(C(C)C)cs3)CC2)[nH]n1
InChIInChI=1S/C18H26N4OS/c1-11(2)14-9-15(21-20-14)13-5-7-22(8-6-13)18(23)17-19-16(10-24-17)12(3)4/h9-13H,5-8H2,1-4H3,(H,20,21)
InChIKeyLOJIKEWJHWABQU-UHFFFAOYSA-N
MW346.50 g/mol
LogP4.13
Rot. Bonds4

About [4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-(4-propan-2-yl-1,3-thiazol-2-yl)methanone

[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-(4-propan-2-yl-1,3-thiazol-2-yl)methanone (PubChem CID 56717963) has the molecular formula C18H26N4OS and a molecular weight of 346.50 g/mol. Its IUPAC name is [4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-(4-propan-2-yl-1,3-thiazol-2-yl)methanone.

Molecular Properties

Compound Name[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-(4-propan-2-yl-1,3-thiazol-2-yl)methanone
PubChem CID56717963
Molecular FormulaC18H26N4OS
Molecular Weight346.50 g/mol
Exact Mass346.18
IUPAC Name[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-(4-propan-2-yl-1,3-thiazol-2-yl)methanone
SMILESCC(C)c1cc(C2CCN(C(=O)c3nc(C(C)C)cs3)CC2)[nH]n1
InChIInChI=1S/C18H26N4OS/c1-11(2)14-9-15(21-20-14)13-5-7-22(8-6-13)18(23)17-19-16(10-24-17)12(3)4/h9-13H,5-8H2,1-4H3,(H,20,21)
InChIKeyLOJIKEWJHWABQU-UHFFFAOYSA-N
XLogP4.13
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(4-propan-2-yl-1,3-thiazol-2-yl)methanone
CID 99927369
[(5R)-3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl]-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95188466
1-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one
CID 56714261
N-propan-2-yl-4-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 53016871
6-methyl-2-[[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridin-3-ol
CID 56711478
[(3aR,6R,7aS)-6-hydroxy-3a-methoxy-3,4,5,6,7,7a-hexahydro-2H-indol-1-yl]-(4-propan-2-yl-1,3-thiazol-2-yl)methanone
CID 118785921
5-(1-propan-2-ylpiperidin-4-yl)-1H-pyrazole-3-carboxylic acid
CID 115092280
[(3R)-3-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-(4-propan-2-yl-1,3-thiazol-2-yl)methanone
CID 29185158
5-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1H-pyrazole-3-carboxamide
CID 91628866
1-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 53016835
1-cyclopent-3-en-1-yl-3-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine
CID 166293926
[2-(2-methoxyphenyl)pyrrolidin-1-yl]-(4-propan-2-yl-1,3-thiazol-2-yl)methanone
CID 77087483

Frequently Asked Questions

What is the IUPAC name of [4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-(4-propan-2-yl-1,3-thiazol-2-yl)methanone?
The IUPAC name of [4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-(4-propan-2-yl-1,3-thiazol-2-yl)methanone (CID 56717963) is [4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-(4-propan-2-yl-1,3-thiazol-2-yl)methanone.
What is the SMILES notation for [4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-(4-propan-2-yl-1,3-thiazol-2-yl)methanone?
The canonical SMILES for [4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-(4-propan-2-yl-1,3-thiazol-2-yl)methanone is CC(C)c1cc(C2CCN(C(=O)c3nc(C(C)C)cs3)CC2)[nH]n1.
What is the InChIKey of [4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-(4-propan-2-yl-1,3-thiazol-2-yl)methanone?
The InChIKey is LOJIKEWJHWABQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4OS/c1-11(2)14-9-15(21-20-14)13-5-7-22(8-6-13)18(23)17-19-16(10-24-17)12(3)4/h9-13H,5-8H2,1-4H3,(H,20,21).
What are the key properties of [4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-(4-propan-2-yl-1,3-thiazol-2-yl)methanone?
[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-(4-propan-2-yl-1,3-thiazol-2-yl)methanone has a molecular weight of 346.50 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-(4-propan-2-yl-1,3-thiazol-2-yl)methanone is sourced from PubChem (CID 56717963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).