[4-(5-chloro-1,3-thiazol-2-yl)-4-methylpiperidin-1-yl]-pyrimidin-4-ylmethanone

C14H15ClN4OS — CID 110114517

IUPAC[4-(5-chloro-1,3-thiazol-2-yl)-4-methylpiperidin-1-yl]-pyrimidin-4-ylmethanone
SMILESCC1(c2ncc(Cl)s2)CCN(C(=O)c2ccncn2)CC1
InChIInChI=1S/C14H15ClN4OS/c1-14(13-17-8-11(15)21-13)3-6-19(7-4-14)12(20)10-2-5-16-9-18-10/h2,5,8-9H,3-4,6-7H2,1H3
InChIKeyOUMJXWBCBYTSCZ-UHFFFAOYSA-N
MW322.82 g/mol
LogP2.78
Rot. Bonds2

About [4-(5-chloro-1,3-thiazol-2-yl)-4-methylpiperidin-1-yl]-pyrimidin-4-ylmethanone

[4-(5-chloro-1,3-thiazol-2-yl)-4-methylpiperidin-1-yl]-pyrimidin-4-ylmethanone (PubChem CID 110114517) has the molecular formula C14H15ClN4OS and a molecular weight of 322.82 g/mol. Its IUPAC name is [4-(5-chloro-1,3-thiazol-2-yl)-4-methylpiperidin-1-yl]-pyrimidin-4-ylmethanone.

Molecular Properties

Compound Name[4-(5-chloro-1,3-thiazol-2-yl)-4-methylpiperidin-1-yl]-pyrimidin-4-ylmethanone
PubChem CID110114517
Molecular FormulaC14H15ClN4OS
Molecular Weight322.82 g/mol
Exact Mass322.07
IUPAC Name[4-(5-chloro-1,3-thiazol-2-yl)-4-methylpiperidin-1-yl]-pyrimidin-4-ylmethanone
SMILESCC1(c2ncc(Cl)s2)CCN(C(=O)c2ccncn2)CC1
InChIInChI=1S/C14H15ClN4OS/c1-14(13-17-8-11(15)21-13)3-6-19(7-4-14)12(20)10-2-5-16-9-18-10/h2,5,8-9H,3-4,6-7H2,1H3
InChIKeyOUMJXWBCBYTSCZ-UHFFFAOYSA-N
XLogP2.78
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.82
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(5-chloro-1,3-thiazol-2-yl)-4-methylpiperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 110114555
[4-(5-chloro-1,3-thiazol-2-yl)-4-methylpiperidin-1-yl]-(5-ethyl-1,2-oxazol-3-yl)methanone
CID 110114565
1-[4-(5-chloro-1,3-thiazol-2-yl)-4-methylpiperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 110114570
[4-(5-chloro-1,3-thiazol-2-yl)-4-methylpiperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
CID 110114552
1-[4-(5-chloro-1,3-thiazol-2-yl)-4-methylpiperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 110114553
1-(pyrimidine-4-carbonyl)piperidin-4-one
CID 130934366
[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 175659264
[4-(azetidine-1-carbonyl)-4-pyrazol-1-ylpiperidin-1-yl]-pyrimidin-4-ylmethanone
CID 155877184
[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 110114434
(4-chloro-3-pyridinyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81232947
(4-iodo-3,4,5-trimethylpiperidin-1-yl)-pyrimidin-4-ylmethanone
CID 167226848
[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 110114467

Frequently Asked Questions

What is the IUPAC name of [4-(5-chloro-1,3-thiazol-2-yl)-4-methylpiperidin-1-yl]-pyrimidin-4-ylmethanone?
The IUPAC name of [4-(5-chloro-1,3-thiazol-2-yl)-4-methylpiperidin-1-yl]-pyrimidin-4-ylmethanone (CID 110114517) is [4-(5-chloro-1,3-thiazol-2-yl)-4-methylpiperidin-1-yl]-pyrimidin-4-ylmethanone.
What is the SMILES notation for [4-(5-chloro-1,3-thiazol-2-yl)-4-methylpiperidin-1-yl]-pyrimidin-4-ylmethanone?
The canonical SMILES for [4-(5-chloro-1,3-thiazol-2-yl)-4-methylpiperidin-1-yl]-pyrimidin-4-ylmethanone is CC1(c2ncc(Cl)s2)CCN(C(=O)c2ccncn2)CC1.
What is the InChIKey of [4-(5-chloro-1,3-thiazol-2-yl)-4-methylpiperidin-1-yl]-pyrimidin-4-ylmethanone?
The InChIKey is OUMJXWBCBYTSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4OS/c1-14(13-17-8-11(15)21-13)3-6-19(7-4-14)12(20)10-2-5-16-9-18-10/h2,5,8-9H,3-4,6-7H2,1H3.
What are the key properties of [4-(5-chloro-1,3-thiazol-2-yl)-4-methylpiperidin-1-yl]-pyrimidin-4-ylmethanone?
[4-(5-chloro-1,3-thiazol-2-yl)-4-methylpiperidin-1-yl]-pyrimidin-4-ylmethanone has a molecular weight of 322.82 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-chloro-1,3-thiazol-2-yl)-4-methylpiperidin-1-yl]-pyrimidin-4-ylmethanone is sourced from PubChem (CID 110114517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).