N-methyl-2-methylsulfanyl-N-(1-phenylethyl)-[1,3]thiazolo[4,5-d]pyrimidin-7-amine

C15H16N4S2 — CID 133334485

IUPACN-methyl-2-methylsulfanyl-N-(1-phenylethyl)-[1,3]thiazolo[4,5-d]pyrimidin-7-amine
SMILESCSc1nc2ncnc(N(C)C(C)c3ccccc3)c2s1
InChIInChI=1S/C15H16N4S2/c1-10(11-7-5-4-6-8-11)19(2)14-12-13(16-9-17-14)18-15(20-3)21-12/h4-10H,1-3H3
InChIKeyPBBNQECTQMTWGW-UHFFFAOYSA-N
MW316.46 g/mol
LogP4.01
Rot. Bonds4

About N-methyl-2-methylsulfanyl-N-(1-phenylethyl)-[1,3]thiazolo[4,5-d]pyrimidin-7-amine

N-methyl-2-methylsulfanyl-N-(1-phenylethyl)-[1,3]thiazolo[4,5-d]pyrimidin-7-amine (PubChem CID 133334485) has the molecular formula C15H16N4S2 and a molecular weight of 316.46 g/mol. Its IUPAC name is N-methyl-2-methylsulfanyl-N-(1-phenylethyl)-[1,3]thiazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound NameN-methyl-2-methylsulfanyl-N-(1-phenylethyl)-[1,3]thiazolo[4,5-d]pyrimidin-7-amine
PubChem CID133334485
Molecular FormulaC15H16N4S2
Molecular Weight316.46 g/mol
Exact Mass316.08
IUPAC NameN-methyl-2-methylsulfanyl-N-(1-phenylethyl)-[1,3]thiazolo[4,5-d]pyrimidin-7-amine
SMILESCSc1nc2ncnc(N(C)C(C)c3ccccc3)c2s1
InChIInChI=1S/C15H16N4S2/c1-10(11-7-5-4-6-8-11)19(2)14-12-13(16-9-17-14)18-15(20-3)21-12/h4-10H,1-3H3
InChIKeyPBBNQECTQMTWGW-UHFFFAOYSA-N
XLogP4.01
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.46
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine
CID 133424953
2-[(2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)-propylamino]acetic acid
CID 122051486
7-ethyl-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine
CID 139355810
(2S)-2-[(2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)amino]propanoic acid
CID 122049448
N-(2-methylpropyl)-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine
CID 156900793
2-methylsulfanyl-7-(1-oxidopyridin-1-ium-2-yl)oxy-[1,3]thiazolo[4,5-d]pyrimidine
CID 133425075
N-[[4-(difluoromethyl)phenyl]methyl]-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine
CID 133474775
2-methylsulfanyl-N-(4-methylsulfonylbutan-2-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-amine
CID 133386861
2-methylsulfanyl-N-(2-methylsulfanylethyl)-[1,3]thiazolo[4,5-d]pyrimidin-7-amine
CID 133391775
7-(3-ethylphenoxy)-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine
CID 133424521
3-[4-(2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]phenol
CID 133426611
(1S)-N,N-dimethyl-1-phenylethanamine
CID 2724276

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-methylsulfanyl-N-(1-phenylethyl)-[1,3]thiazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of N-methyl-2-methylsulfanyl-N-(1-phenylethyl)-[1,3]thiazolo[4,5-d]pyrimidin-7-amine (CID 133334485) is N-methyl-2-methylsulfanyl-N-(1-phenylethyl)-[1,3]thiazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for N-methyl-2-methylsulfanyl-N-(1-phenylethyl)-[1,3]thiazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for N-methyl-2-methylsulfanyl-N-(1-phenylethyl)-[1,3]thiazolo[4,5-d]pyrimidin-7-amine is CSc1nc2ncnc(N(C)C(C)c3ccccc3)c2s1.
What is the InChIKey of N-methyl-2-methylsulfanyl-N-(1-phenylethyl)-[1,3]thiazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is PBBNQECTQMTWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S2/c1-10(11-7-5-4-6-8-11)19(2)14-12-13(16-9-17-14)18-15(20-3)21-12/h4-10H,1-3H3.
What are the key properties of N-methyl-2-methylsulfanyl-N-(1-phenylethyl)-[1,3]thiazolo[4,5-d]pyrimidin-7-amine?
N-methyl-2-methylsulfanyl-N-(1-phenylethyl)-[1,3]thiazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 316.46 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-methylsulfanyl-N-(1-phenylethyl)-[1,3]thiazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 133334485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).