2-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

C14H17N5OS2 — CID 133415084

IUPAC2-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCC(C)(C)c1nc(CCNc2nn3c(=O)ccnc3s2)cs1
InChIInChI=1S/C14H17N5OS2/c1-14(2,3)11-17-9(8-21-11)4-6-15-12-18-19-10(20)5-7-16-13(19)22-12/h5,7-8H,4,6H2,1-3H3,(H,15,18)
InChIKeyRRVCSSFQPJSKLL-UHFFFAOYSA-N
MW335.46 g/mol
LogP2.56
Rot. Bonds4

About 2-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

2-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 133415084) has the molecular formula C14H17N5OS2 and a molecular weight of 335.46 g/mol. Its IUPAC name is 2-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
PubChem CID133415084
Molecular FormulaC14H17N5OS2
Molecular Weight335.46 g/mol
Exact Mass335.09
IUPAC Name2-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCC(C)(C)c1nc(CCNc2nn3c(=O)ccnc3s2)cs1
InChIInChI=1S/C14H17N5OS2/c1-14(2,3)11-17-9(8-21-11)4-6-15-12-18-19-10(20)5-7-16-13(19)22-12/h5,7-8H,4,6H2,1-3H3,(H,15,18)
InChIKeyRRVCSSFQPJSKLL-UHFFFAOYSA-N
XLogP2.56
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.46
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[2-(tert-butylamino)ethylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133276298
2-(2-hydroxyethylamino)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 131160530
2-(2-tert-butylsulfanylethylamino)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133275856
2-[2-(2-tert-butylphenoxy)ethylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133293611
N-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-4-methylpyrimidin-2-amine
CID 133415137
2-[2-(3-phenylmethoxyphenyl)ethylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133415563
2-(5,5-dimethylhexan-2-ylamino)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133311802
2-[3-(3-bromophenyl)propylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133293811
2-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133287002
2-[[(1R)-3,3-dimethyl-1-phenylbutyl]amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 95636435
2-[(3-methyl-3-phenylbutan-2-yl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133349957
3-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethylamino]-2-methyl-3-oxopropanoic acid
CID 122066295

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 2-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 133415084) is 2-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 2-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 2-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is CC(C)(C)c1nc(CCNc2nn3c(=O)ccnc3s2)cs1.
What is the InChIKey of 2-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is RRVCSSFQPJSKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5OS2/c1-14(2,3)11-17-9(8-21-11)4-6-15-12-18-19-10(20)5-7-16-13(19)22-12/h5,7-8H,4,6H2,1-3H3,(H,15,18).
What are the key properties of 2-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
2-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 335.46 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 133415084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).