N-[(2-chloro-1,3-thiazol-4-yl)methyl]-2-methyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine

C10H8ClN5S2 — CID 167881185

IUPACN-[(2-chloro-1,3-thiazol-4-yl)methyl]-2-methyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
SMILESCc1nc2c(NCc3csc(Cl)n3)ncnc2s1
InChIInChI=1S/C10H8ClN5S2/c1-5-15-7-8(13-4-14-9(7)18-5)12-2-6-3-17-10(11)16-6/h3-4H,2H2,1H3,(H,12,13,14)
InChIKeyUFZHFYAMPAREKF-UHFFFAOYSA-N
MW297.80 g/mol
LogP3.12
Rot. Bonds3

About N-[(2-chloro-1,3-thiazol-4-yl)methyl]-2-methyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine

N-[(2-chloro-1,3-thiazol-4-yl)methyl]-2-methyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine (PubChem CID 167881185) has the molecular formula C10H8ClN5S2 and a molecular weight of 297.80 g/mol. Its IUPAC name is N-[(2-chloro-1,3-thiazol-4-yl)methyl]-2-methyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[(2-chloro-1,3-thiazol-4-yl)methyl]-2-methyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
PubChem CID167881185
Molecular FormulaC10H8ClN5S2
Molecular Weight297.80 g/mol
Exact Mass296.99
IUPAC NameN-[(2-chloro-1,3-thiazol-4-yl)methyl]-2-methyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
SMILESCc1nc2c(NCc3csc(Cl)n3)ncnc2s1
InChIInChI=1S/C10H8ClN5S2/c1-5-15-7-8(13-4-14-9(7)18-5)12-2-6-3-17-10(11)16-6/h3-4H,2H2,1H3,(H,12,13,14)
InChIKeyUFZHFYAMPAREKF-UHFFFAOYSA-N
XLogP3.12
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.80
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-1,3-thiazol-4-yl)methyl]-2-methyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The IUPAC name of N-[(2-chloro-1,3-thiazol-4-yl)methyl]-2-methyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine (CID 167881185) is N-[(2-chloro-1,3-thiazol-4-yl)methyl]-2-methyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine.
What is the SMILES notation for N-[(2-chloro-1,3-thiazol-4-yl)methyl]-2-methyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The canonical SMILES for N-[(2-chloro-1,3-thiazol-4-yl)methyl]-2-methyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine is Cc1nc2c(NCc3csc(Cl)n3)ncnc2s1.
What is the InChIKey of N-[(2-chloro-1,3-thiazol-4-yl)methyl]-2-methyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The InChIKey is UFZHFYAMPAREKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN5S2/c1-5-15-7-8(13-4-14-9(7)18-5)12-2-6-3-17-10(11)16-6/h3-4H,2H2,1H3,(H,12,13,14).
What are the key properties of N-[(2-chloro-1,3-thiazol-4-yl)methyl]-2-methyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
N-[(2-chloro-1,3-thiazol-4-yl)methyl]-2-methyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine has a molecular weight of 297.80 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-1,3-thiazol-4-yl)methyl]-2-methyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine is sourced from PubChem (CID 167881185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).