7-[(6-methoxy-1H-indazol-5-yl)amino]-N,N-dimethyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide

C16H15N7O2S — CID 78323062

IUPAC7-[(6-methoxy-1H-indazol-5-yl)amino]-N,N-dimethyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
SMILESCOc1cc2[nH]ncc2cc1Nc1ncnc2sc(C(=O)N(C)C)nc12
InChIInChI=1S/C16H15N7O2S/c1-23(2)16(24)15-21-12-13(17-7-18-14(12)26-15)20-10-4-8-6-19-22-9(8)5-11(10)25-3/h4-7H,1-3H3,(H,19,22)(H,17,18,20)
InChIKeyOJTUGJMQDUSDMJ-UHFFFAOYSA-N
MW369.41 g/mol
LogP2.42
Rot. Bonds4

About 7-[(6-methoxy-1H-indazol-5-yl)amino]-N,N-dimethyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide

7-[(6-methoxy-1H-indazol-5-yl)amino]-N,N-dimethyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide (PubChem CID 78323062) has the molecular formula C16H15N7O2S and a molecular weight of 369.41 g/mol. Its IUPAC name is 7-[(6-methoxy-1H-indazol-5-yl)amino]-N,N-dimethyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name7-[(6-methoxy-1H-indazol-5-yl)amino]-N,N-dimethyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
PubChem CID78323062
Molecular FormulaC16H15N7O2S
Molecular Weight369.41 g/mol
Exact Mass369.10
IUPAC Name7-[(6-methoxy-1H-indazol-5-yl)amino]-N,N-dimethyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
SMILESCOc1cc2[nH]ncc2cc1Nc1ncnc2sc(C(=O)N(C)C)nc12
InChIInChI=1S/C16H15N7O2S/c1-23(2)16(24)15-21-12-13(17-7-18-14(12)26-15)20-10-4-8-6-19-22-9(8)5-11(10)25-3/h4-7H,1-3H3,(H,19,22)(H,17,18,20)
InChIKeyOJTUGJMQDUSDMJ-UHFFFAOYSA-N
XLogP2.42
TPSA108.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.41
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-[(6-methoxy-1H-indazol-5-yl)amino]-N,N-dimethyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The IUPAC name of 7-[(6-methoxy-1H-indazol-5-yl)amino]-N,N-dimethyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide (CID 78323062) is 7-[(6-methoxy-1H-indazol-5-yl)amino]-N,N-dimethyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide.
What is the SMILES notation for 7-[(6-methoxy-1H-indazol-5-yl)amino]-N,N-dimethyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The canonical SMILES for 7-[(6-methoxy-1H-indazol-5-yl)amino]-N,N-dimethyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide is COc1cc2[nH]ncc2cc1Nc1ncnc2sc(C(=O)N(C)C)nc12.
What is the InChIKey of 7-[(6-methoxy-1H-indazol-5-yl)amino]-N,N-dimethyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The InChIKey is OJTUGJMQDUSDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N7O2S/c1-23(2)16(24)15-21-12-13(17-7-18-14(12)26-15)20-10-4-8-6-19-22-9(8)5-11(10)25-3/h4-7H,1-3H3,(H,19,22)(H,17,18,20).
What are the key properties of 7-[(6-methoxy-1H-indazol-5-yl)amino]-N,N-dimethyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
7-[(6-methoxy-1H-indazol-5-yl)amino]-N,N-dimethyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide has a molecular weight of 369.41 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(6-methoxy-1H-indazol-5-yl)amino]-N,N-dimethyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 78323062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).