(2-cyclopropylpyrimidin-5-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone

C16H18N4OS — CID 118739953

IUPAC(2-cyclopropylpyrimidin-5-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESO=C(c1cnc(C2CC2)nc1)N1CCCC(c2nccs2)C1
InChIInChI=1S/C16H18N4OS/c21-16(13-8-18-14(19-9-13)11-3-4-11)20-6-1-2-12(10-20)15-17-5-7-22-15/h5,7-9,11-12H,1-4,6,10H2
InChIKeyRXSGXFRBIXNMBZ-UHFFFAOYSA-N
MW314.41 g/mol
LogP2.83
Rot. Bonds3

About (2-cyclopropylpyrimidin-5-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone

(2-cyclopropylpyrimidin-5-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone (PubChem CID 118739953) has the molecular formula C16H18N4OS and a molecular weight of 314.41 g/mol. Its IUPAC name is (2-cyclopropylpyrimidin-5-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-cyclopropylpyrimidin-5-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
PubChem CID118739953
Molecular FormulaC16H18N4OS
Molecular Weight314.41 g/mol
Exact Mass314.12
IUPAC Name(2-cyclopropylpyrimidin-5-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESO=C(c1cnc(C2CC2)nc1)N1CCCC(c2nccs2)C1
InChIInChI=1S/C16H18N4OS/c21-16(13-8-18-14(19-9-13)11-3-4-11)20-6-1-2-12(10-20)15-17-5-7-22-15/h5,7-9,11-12H,1-4,6,10H2
InChIKeyRXSGXFRBIXNMBZ-UHFFFAOYSA-N
XLogP2.83
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-((2-cyclopropyl-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-(thiazol-2-yl)acetamide
CID 16195710
2-ethyl-N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)-5-pyrimidinecarboxamide
CID 72854014
(2-Methylpyrimidin-5-yl)-[3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone
CID 110271243
Pyrimidin-5-yl-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 118739956
(4-Methylpyrimidin-5-yl)-[3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone
CID 118740400
N-isopropyl-5-{[4-(1,3-thiazol-2-yl)piperazin-1-yl]carbonyl}pyrimidin-2-amine
CID 74240734
N-[[1-(2-methylpropyl)cyclopropyl]methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 75425823
2-cyclopropyl-N-methyl-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-5-carboxamide
CID 97936007
US20240246937, Example 361
CID 166103933
[4-(1,3-Thiazol-2-yl)piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone
CID 121550007
N-[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl]-N-methylpyrimidine-5-carboxamide
CID 128973981
[4-(5-Methyl-1,3-thiazol-2-yl)piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone
CID 139006330

Frequently Asked Questions

What is the IUPAC name of (2-cyclopropylpyrimidin-5-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (2-cyclopropylpyrimidin-5-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone (CID 118739953) is (2-cyclopropylpyrimidin-5-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-cyclopropylpyrimidin-5-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2-cyclopropylpyrimidin-5-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone is O=C(c1cnc(C2CC2)nc1)N1CCCC(c2nccs2)C1.
What is the InChIKey of (2-cyclopropylpyrimidin-5-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is RXSGXFRBIXNMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4OS/c21-16(13-8-18-14(19-9-13)11-3-4-11)20-6-1-2-12(10-20)15-17-5-7-22-15/h5,7-9,11-12H,1-4,6,10H2.
What are the key properties of (2-cyclopropylpyrimidin-5-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
(2-cyclopropylpyrimidin-5-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 314.41 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropylpyrimidin-5-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 118739953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).