N-methyl-5-(5-methylsulfanyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine;propane

C15H20N4S2 — CID 155717616

IUPACN-methyl-5-(5-methylsulfanyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine;propane
SMILESCCC.CNc1c(-c2ncc(SC)s2)cnc2[nH]ccc12
InChIInChI=1S/C12H12N4S2.C3H8/c1-13-10-7-3-4-14-11(7)15-5-8(10)12-16-6-9(17-2)18-12;1-3-2/h3-6H,1-2H3,(H2,13,14,15);3H2,1-2H3
InChIKeyVTLLBNUHCJNACC-UHFFFAOYSA-N
MW320.49 g/mol
LogP4.87
Rot. Bonds3

About N-methyl-5-(5-methylsulfanyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine;propane

N-methyl-5-(5-methylsulfanyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine;propane (PubChem CID 155717616) has the molecular formula C15H20N4S2 and a molecular weight of 320.49 g/mol. Its IUPAC name is N-methyl-5-(5-methylsulfanyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine;propane.

Molecular Properties

Compound NameN-methyl-5-(5-methylsulfanyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine;propane
PubChem CID155717616
Molecular FormulaC15H20N4S2
Molecular Weight320.49 g/mol
Exact Mass320.11
IUPAC NameN-methyl-5-(5-methylsulfanyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine;propane
SMILESCCC.CNc1c(-c2ncc(SC)s2)cnc2[nH]ccc12
InChIInChI=1S/C12H12N4S2.C3H8/c1-13-10-7-3-4-14-11(7)15-5-8(10)12-16-6-9(17-2)18-12;1-3-2/h3-6H,1-2H3,(H2,13,14,15);3H2,1-2H3
InChIKeyVTLLBNUHCJNACC-UHFFFAOYSA-N
XLogP4.87
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.49
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(5-methylsulfanyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine;propane?
The IUPAC name of N-methyl-5-(5-methylsulfanyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine;propane (CID 155717616) is N-methyl-5-(5-methylsulfanyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine;propane.
What is the SMILES notation for N-methyl-5-(5-methylsulfanyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine;propane?
The canonical SMILES for N-methyl-5-(5-methylsulfanyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine;propane is CCC.CNc1c(-c2ncc(SC)s2)cnc2[nH]ccc12.
What is the InChIKey of N-methyl-5-(5-methylsulfanyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine;propane?
The InChIKey is VTLLBNUHCJNACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4S2.C3H8/c1-13-10-7-3-4-14-11(7)15-5-8(10)12-16-6-9(17-2)18-12;1-3-2/h3-6H,1-2H3,(H2,13,14,15);3H2,1-2H3.
What are the key properties of N-methyl-5-(5-methylsulfanyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine;propane?
N-methyl-5-(5-methylsulfanyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine;propane has a molecular weight of 320.49 g/mol, XLogP of 4.87, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(5-methylsulfanyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine;propane is sourced from PubChem (CID 155717616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).