2-(1-propan-2-ylazetidin-3-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-thiazole

C14H21N3S — CID 166950736

IUPAC2-(1-propan-2-ylazetidin-3-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-thiazole
SMILESCC(C)N1CC(c2ncc(C3=CCNCC3)s2)C1
InChIInChI=1S/C14H21N3S/c1-10(2)17-8-12(9-17)14-16-7-13(18-14)11-3-5-15-6-4-11/h3,7,10,12,15H,4-6,8-9H2,1-2H3
InChIKeyKTOIKMWLGPPAJL-UHFFFAOYSA-N
MW263.41 g/mol
LogP2.33
Rot. Bonds3

About 2-(1-propan-2-ylazetidin-3-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-thiazole

2-(1-propan-2-ylazetidin-3-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-thiazole (PubChem CID 166950736) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is 2-(1-propan-2-ylazetidin-3-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(1-propan-2-ylazetidin-3-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-thiazole
PubChem CID166950736
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC Name2-(1-propan-2-ylazetidin-3-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-thiazole
SMILESCC(C)N1CC(c2ncc(C3=CCNCC3)s2)C1
InChIInChI=1S/C14H21N3S/c1-10(2)17-8-12(9-17)14-16-7-13(18-14)11-3-5-15-6-4-11/h3,7,10,12,15H,4-6,8-9H2,1-2H3
InChIKeyKTOIKMWLGPPAJL-UHFFFAOYSA-N
XLogP2.33
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1-propan-2-ylazetidin-3-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-thiazole with MolForge

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Related Compounds

4-(1,3-Thiazol-5-yl)-1,2,3,6-tetrahydropyridine dihydrochloride
CID 145994643
5-(1,2,3,6-Tetrahydropyridin-4-yl)-2-(trifluoromethyl)-1,3-thiazole
CID 106784090
3-[2-(Trifluoromethyl)-1,3-thiazol-5-yl]cyclohex-2-en-1-amine
CID 106784192
3-[2-(Trifluoromethyl)-1,3-thiazol-5-yl]cyclopent-2-en-1-amine
CID 106784194
5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-thiazole
CID 89129025
2-Methyl-5-(3-methylcyclohexa-1,3-dien-1-yl)-1,3-thiazole
CID 89354527
3-(1,3-Thiazol-5-yl)cyclohex-2-en-1-amine
CID 117762201
5-Cyclohexa-1,3-dien-1-yl-2-propan-2-yl-1,3-thiazole
CID 139505736
N-[[5-[(E)-but-2-en-2-yl]-1,3-thiazol-2-yl]methyl]-3-(2-methylpiperidin-1-yl)propan-1-amine;ethane;prop-1-ene
CID 143088073
2-(1-Methylazetidin-3-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-thiazole
CID 166936052
2-Cyclopropyl-5-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,3-thiazole
CID 178037077
N-ethyl-2-[(2-methyl-1,3-thiazol-5-yl)methylidene]butan-1-amine
CID 79328957

Frequently Asked Questions

What is the IUPAC name of 2-(1-propan-2-ylazetidin-3-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-thiazole?
The IUPAC name of 2-(1-propan-2-ylazetidin-3-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-thiazole (CID 166950736) is 2-(1-propan-2-ylazetidin-3-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-thiazole.
What is the SMILES notation for 2-(1-propan-2-ylazetidin-3-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-thiazole?
The canonical SMILES for 2-(1-propan-2-ylazetidin-3-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-thiazole is CC(C)N1CC(c2ncc(C3=CCNCC3)s2)C1.
What is the InChIKey of 2-(1-propan-2-ylazetidin-3-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-thiazole?
The InChIKey is KTOIKMWLGPPAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S/c1-10(2)17-8-12(9-17)14-16-7-13(18-14)11-3-5-15-6-4-11/h3,7,10,12,15H,4-6,8-9H2,1-2H3.
What are the key properties of 2-(1-propan-2-ylazetidin-3-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-thiazole?
2-(1-propan-2-ylazetidin-3-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-thiazole has a molecular weight of 263.41 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propan-2-ylazetidin-3-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-thiazole is sourced from PubChem (CID 166950736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).