N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]thieno[3,2-b]pyridin-7-amine

C13H13N3S2 — CID 166258647

IUPACN-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]thieno[3,2-b]pyridin-7-amine
SMILESCc1nc(CNc2ccnc3ccsc23)sc1C
InChIInChI=1S/C13H13N3S2/c1-8-9(2)18-12(16-8)7-15-10-3-5-14-11-4-6-17-13(10)11/h3-6H,7H2,1-2H3,(H,14,15)
InChIKeyFDEWZOMZQJTHQS-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.98
Rot. Bonds3

About N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]thieno[3,2-b]pyridin-7-amine

N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]thieno[3,2-b]pyridin-7-amine (PubChem CID 166258647) has the molecular formula C13H13N3S2 and a molecular weight of 275.40 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]thieno[3,2-b]pyridin-7-amine.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]thieno[3,2-b]pyridin-7-amine
PubChem CID166258647
Molecular FormulaC13H13N3S2
Molecular Weight275.40 g/mol
Exact Mass275.06
IUPAC NameN-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]thieno[3,2-b]pyridin-7-amine
SMILESCc1nc(CNc2ccnc3ccsc23)sc1C
InChIInChI=1S/C13H13N3S2/c1-8-9(2)18-12(16-8)7-15-10-3-5-14-11-4-6-17-13(10)11/h3-6H,7H2,1-2H3,(H,14,15)
InChIKeyFDEWZOMZQJTHQS-UHFFFAOYSA-N
XLogP3.98
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-(thieno[3,2-b]pyridin-7-ylamino)propan-2-ol
CID 130653771
N-methyl-N-[4-[(thieno[3,2-b]pyridin-7-ylamino)methyl]phenyl]methanesulfonamide
CID 71871115
N-(imidazo[1,2-a]pyridin-7-ylmethyl)thieno[3,2-b]pyridin-7-amine
CID 166214091
N-[(2-nitrophenyl)methyl]thieno[3,2-b]pyridin-7-amine
CID 133318070
[3-[(thieno[3,2-b]pyridin-7-ylamino)methyl]oxetan-3-yl]methanol
CID 133399177
7-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]thieno[3,2-b]pyridine
CID 133391151
N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]thieno[3,2-b]pyridin-7-amine
CID 133431380
4-(2,6-dimethoxyphenyl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]pyrimidin-2-amine
CID 71573956
N-[2-(2-methylprop-2-enoxy)ethyl]thieno[3,2-b]pyridin-7-amine
CID 133366334
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-8-methylquinolin-4-amine
CID 133369314
N-[(6-imidazol-1-yl-3-pyridinyl)methyl]thieno[3,2-b]pyridin-7-amine
CID 71871472
N-propyl-3-[(thieno[3,2-b]pyridin-7-ylamino)methyl]benzamide
CID 133317628

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]thieno[3,2-b]pyridin-7-amine?
The IUPAC name of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]thieno[3,2-b]pyridin-7-amine (CID 166258647) is N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]thieno[3,2-b]pyridin-7-amine.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]thieno[3,2-b]pyridin-7-amine?
The canonical SMILES for N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]thieno[3,2-b]pyridin-7-amine is Cc1nc(CNc2ccnc3ccsc23)sc1C.
What is the InChIKey of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]thieno[3,2-b]pyridin-7-amine?
The InChIKey is FDEWZOMZQJTHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3S2/c1-8-9(2)18-12(16-8)7-15-10-3-5-14-11-4-6-17-13(10)11/h3-6H,7H2,1-2H3,(H,14,15).
What are the key properties of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]thieno[3,2-b]pyridin-7-amine?
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]thieno[3,2-b]pyridin-7-amine has a molecular weight of 275.40 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]thieno[3,2-b]pyridin-7-amine is sourced from PubChem (CID 166258647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).