2-propan-2-yl-4-[2-(4-pyrimidin-5-yltriazol-1-yl)ethyl]-1,3-thiazole

C14H16N6S — CID 72851331

IUPAC2-propan-2-yl-4-[2-(4-pyrimidin-5-yltriazol-1-yl)ethyl]-1,3-thiazole
SMILESCC(C)c1nc(CCn2cc(-c3cncnc3)nn2)cs1
InChIInChI=1S/C14H16N6S/c1-10(2)14-17-12(8-21-14)3-4-20-7-13(18-19-20)11-5-15-9-16-6-11/h5-10H,3-4H2,1-2H3
InChIKeyDCWRCTZIYBZOPA-UHFFFAOYSA-N
MW300.39 g/mol
LogP2.56
Rot. Bonds5

About 2-propan-2-yl-4-[2-(4-pyrimidin-5-yltriazol-1-yl)ethyl]-1,3-thiazole

2-propan-2-yl-4-[2-(4-pyrimidin-5-yltriazol-1-yl)ethyl]-1,3-thiazole (PubChem CID 72851331) has the molecular formula C14H16N6S and a molecular weight of 300.39 g/mol. Its IUPAC name is 2-propan-2-yl-4-[2-(4-pyrimidin-5-yltriazol-1-yl)ethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-propan-2-yl-4-[2-(4-pyrimidin-5-yltriazol-1-yl)ethyl]-1,3-thiazole
PubChem CID72851331
Molecular FormulaC14H16N6S
Molecular Weight300.39 g/mol
Exact Mass300.12
IUPAC Name2-propan-2-yl-4-[2-(4-pyrimidin-5-yltriazol-1-yl)ethyl]-1,3-thiazole
SMILESCC(C)c1nc(CCn2cc(-c3cncnc3)nn2)cs1
InChIInChI=1S/C14H16N6S/c1-10(2)14-17-12(8-21-14)3-4-20-7-13(18-19-20)11-5-15-9-16-6-11/h5-10H,3-4H2,1-2H3
InChIKeyDCWRCTZIYBZOPA-UHFFFAOYSA-N
XLogP2.56
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-(1-Methylpyrazol-4-yl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole
CID 71924686
4-[4-(1-Methylpyrazol-4-yl)-1,3-thiazol-2-yl]thiomorpholine
CID 72001340
2-(4-Methylpiperazin-1-yl)-4-(1-methylpyrazol-4-yl)-1,3-thiazole
CID 72001359
5-{1-[2-(1H-1,2,3-triazol-5-ylthio)ethyl]-1H-1,2,3-triazol-4-yl}pyrimidine
CID 72874507
5-{1-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1H-1,2,3-triazol-4-yl}pyrimidine
CID 72848153
2-[(3S)-3-methylpiperidin-1-yl]-4-(1-methylpyrazol-4-yl)-1,3-thiazole
CID 97023603
4-(2-Fluoropyrimidin-5-yl)-2-methyl-1,3-thiazole
CID 130757779
2-(1-methyl-1H-pyrazol-4-yl)-6-{4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl}pyrazine
CID 163352921
2-{1-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-1H-imidazol-2-yl}-4-isopropyl-1,3-thiazole
CID 56866331
2-Methyl-4-[2-(2-methylpyrrolidin-1-yl)pyrimidin-5-yl]-1,3-thiazole
CID 68186607
4-(6-Methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazole
CID 68190433
5-methyl-N-(1-methylpyrazol-4-yl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
CID 69092184

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-4-[2-(4-pyrimidin-5-yltriazol-1-yl)ethyl]-1,3-thiazole?
The IUPAC name of 2-propan-2-yl-4-[2-(4-pyrimidin-5-yltriazol-1-yl)ethyl]-1,3-thiazole (CID 72851331) is 2-propan-2-yl-4-[2-(4-pyrimidin-5-yltriazol-1-yl)ethyl]-1,3-thiazole.
What is the SMILES notation for 2-propan-2-yl-4-[2-(4-pyrimidin-5-yltriazol-1-yl)ethyl]-1,3-thiazole?
The canonical SMILES for 2-propan-2-yl-4-[2-(4-pyrimidin-5-yltriazol-1-yl)ethyl]-1,3-thiazole is CC(C)c1nc(CCn2cc(-c3cncnc3)nn2)cs1.
What is the InChIKey of 2-propan-2-yl-4-[2-(4-pyrimidin-5-yltriazol-1-yl)ethyl]-1,3-thiazole?
The InChIKey is DCWRCTZIYBZOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6S/c1-10(2)14-17-12(8-21-14)3-4-20-7-13(18-19-20)11-5-15-9-16-6-11/h5-10H,3-4H2,1-2H3.
What are the key properties of 2-propan-2-yl-4-[2-(4-pyrimidin-5-yltriazol-1-yl)ethyl]-1,3-thiazole?
2-propan-2-yl-4-[2-(4-pyrimidin-5-yltriazol-1-yl)ethyl]-1,3-thiazole has a molecular weight of 300.39 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-4-[2-(4-pyrimidin-5-yltriazol-1-yl)ethyl]-1,3-thiazole is sourced from PubChem (CID 72851331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).