(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(pyrimidin-2-ylamino)azetidin-1-yl]methanone

C13H15N5OS — CID 119103796

IUPAC(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(pyrimidin-2-ylamino)azetidin-1-yl]methanone
SMILESCc1nc(C)c(C(=O)N2CC(Nc3ncccn3)C2)s1
InChIInChI=1S/C13H15N5OS/c1-8-11(20-9(2)16-8)12(19)18-6-10(7-18)17-13-14-4-3-5-15-13/h3-5,10H,6-7H2,1-2H3,(H,14,15,17)
InChIKeyPLBCFGVEQVSFQL-UHFFFAOYSA-N
MW289.36 g/mol
LogP1.49
Rot. Bonds3

About (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(pyrimidin-2-ylamino)azetidin-1-yl]methanone

(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(pyrimidin-2-ylamino)azetidin-1-yl]methanone (PubChem CID 119103796) has the molecular formula C13H15N5OS and a molecular weight of 289.36 g/mol. Its IUPAC name is (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(pyrimidin-2-ylamino)azetidin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(pyrimidin-2-ylamino)azetidin-1-yl]methanone
PubChem CID119103796
Molecular FormulaC13H15N5OS
Molecular Weight289.36 g/mol
Exact Mass289.10
IUPAC Name(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(pyrimidin-2-ylamino)azetidin-1-yl]methanone
SMILESCc1nc(C)c(C(=O)N2CC(Nc3ncccn3)C2)s1
InChIInChI=1S/C13H15N5OS/c1-8-11(20-9(2)16-8)12(19)18-6-10(7-18)17-13-14-4-3-5-15-13/h3-5,10H,6-7H2,1-2H3,(H,14,15,17)
InChIKeyPLBCFGVEQVSFQL-UHFFFAOYSA-N
XLogP1.49
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-Aminopyrimidin-4-yl)-4-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 90643549
4-methyl-2-propyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)-1,3-thiazole-5-carboxamide
CID 45823143
2,4-dimethyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 47211459
4-methyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 47284373
2-tert-butyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 47886341
2-tert-butyl-4-methyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 49028095
2-ethyl-4-methyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 49385475
4-methyl-2-propan-2-yl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 51081167
4-methyl-2-propyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 53501016
2-methyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 53547436
2-(ethylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-5-carboxamide
CID 56744913
1-[4-(4-Methyl-1,3-thiazol-2-yl)piperazin-1-yl]-4-(pyrimidin-2-ylamino)butan-1-one
CID 56815620

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(pyrimidin-2-ylamino)azetidin-1-yl]methanone?
The IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(pyrimidin-2-ylamino)azetidin-1-yl]methanone (CID 119103796) is (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(pyrimidin-2-ylamino)azetidin-1-yl]methanone.
What is the SMILES notation for (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(pyrimidin-2-ylamino)azetidin-1-yl]methanone?
The canonical SMILES for (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(pyrimidin-2-ylamino)azetidin-1-yl]methanone is Cc1nc(C)c(C(=O)N2CC(Nc3ncccn3)C2)s1.
What is the InChIKey of (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(pyrimidin-2-ylamino)azetidin-1-yl]methanone?
The InChIKey is PLBCFGVEQVSFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5OS/c1-8-11(20-9(2)16-8)12(19)18-6-10(7-18)17-13-14-4-3-5-15-13/h3-5,10H,6-7H2,1-2H3,(H,14,15,17).
What are the key properties of (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(pyrimidin-2-ylamino)azetidin-1-yl]methanone?
(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(pyrimidin-2-ylamino)azetidin-1-yl]methanone has a molecular weight of 289.36 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(pyrimidin-2-ylamino)azetidin-1-yl]methanone is sourced from PubChem (CID 119103796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).