2-methylsulfanyl-N-[1-(4-pyrazol-1-ylphenyl)ethyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-amine

C17H16N6S2 — CID 133327049

IUPAC2-methylsulfanyl-N-[1-(4-pyrazol-1-ylphenyl)ethyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-amine
SMILESCSc1nc2ncnc(NC(C)c3ccc(-n4cccn4)cc3)c2s1
InChIInChI=1S/C17H16N6S2/c1-11(12-4-6-13(7-5-12)23-9-3-8-20-23)21-15-14-16(19-10-18-15)22-17(24-2)25-14/h3-11H,1-2H3,(H,18,19,21)
InChIKeyHZFBTTBLZZRXEE-UHFFFAOYSA-N
MW368.49 g/mol
LogP4.17
Rot. Bonds5

About 2-methylsulfanyl-N-[1-(4-pyrazol-1-ylphenyl)ethyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-amine

2-methylsulfanyl-N-[1-(4-pyrazol-1-ylphenyl)ethyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-amine (PubChem CID 133327049) has the molecular formula C17H16N6S2 and a molecular weight of 368.49 g/mol. Its IUPAC name is 2-methylsulfanyl-N-[1-(4-pyrazol-1-ylphenyl)ethyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name2-methylsulfanyl-N-[1-(4-pyrazol-1-ylphenyl)ethyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-amine
PubChem CID133327049
Molecular FormulaC17H16N6S2
Molecular Weight368.49 g/mol
Exact Mass368.09
IUPAC Name2-methylsulfanyl-N-[1-(4-pyrazol-1-ylphenyl)ethyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-amine
SMILESCSc1nc2ncnc(NC(C)c3ccc(-n4cccn4)cc3)c2s1
InChIInChI=1S/C17H16N6S2/c1-11(12-4-6-13(7-5-12)23-9-3-8-20-23)21-15-14-16(19-10-18-15)22-17(24-2)25-14/h3-11H,1-2H3,(H,18,19,21)
InChIKeyHZFBTTBLZZRXEE-UHFFFAOYSA-N
XLogP4.17
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[1-(4-pyrazol-1-ylphenyl)ethyl]pyridin-2-amine
CID 133327058
N-[1-(4-pyrazol-1-ylphenyl)ethyl]pyrimidin-2-amine
CID 133327133
(2S)-2-[(2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)amino]propanoic acid
CID 122049448
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine
CID 133312029
N-[1-(4-pyrazol-1-ylphenyl)ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 133327160
N-[[4-(difluoromethyl)phenyl]methyl]-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine
CID 133474775
N-(2-methylpropyl)-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine
CID 156900793
2-methylsulfanyl-N-(4-methylsulfonylbutan-2-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-amine
CID 133386861
N-[1-(4-pyrazol-1-ylphenyl)ethyl]quinolin-2-amine
CID 133327159
2-methylsulfanyl-N-(2-methylsulfanylethyl)-[1,3]thiazolo[4,5-d]pyrimidin-7-amine
CID 133391775
3-amino-2-methyl-N-[1-(4-pyrazol-1-ylphenyl)ethyl]butanamide
CID 120501837
6-tert-butyl-N-[1-(4-pyrazol-1-ylphenyl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133327141

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-[1-(4-pyrazol-1-ylphenyl)ethyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 2-methylsulfanyl-N-[1-(4-pyrazol-1-ylphenyl)ethyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-amine (CID 133327049) is 2-methylsulfanyl-N-[1-(4-pyrazol-1-ylphenyl)ethyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 2-methylsulfanyl-N-[1-(4-pyrazol-1-ylphenyl)ethyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 2-methylsulfanyl-N-[1-(4-pyrazol-1-ylphenyl)ethyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-amine is CSc1nc2ncnc(NC(C)c3ccc(-n4cccn4)cc3)c2s1.
What is the InChIKey of 2-methylsulfanyl-N-[1-(4-pyrazol-1-ylphenyl)ethyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is HZFBTTBLZZRXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6S2/c1-11(12-4-6-13(7-5-12)23-9-3-8-20-23)21-15-14-16(19-10-18-15)22-17(24-2)25-14/h3-11H,1-2H3,(H,18,19,21).
What are the key properties of 2-methylsulfanyl-N-[1-(4-pyrazol-1-ylphenyl)ethyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-amine?
2-methylsulfanyl-N-[1-(4-pyrazol-1-ylphenyl)ethyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 368.49 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-[1-(4-pyrazol-1-ylphenyl)ethyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 133327049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).