4-(propan-2-ylamino)-7-(1,2-thiazol-4-yl)cinnoline-3-carboxamide

C15H15N5OS — CID 71720656

IUPAC4-(propan-2-ylamino)-7-(1,2-thiazol-4-yl)cinnoline-3-carboxamide
SMILESCC(C)Nc1c(C(N)=O)nnc2cc(-c3cnsc3)ccc12
InChIInChI=1S/C15H15N5OS/c1-8(2)18-13-11-4-3-9(10-6-17-22-7-10)5-12(11)19-20-14(13)15(16)21/h3-8H,1-2H3,(H2,16,21)(H,18,19)
InChIKeyOIMDQFFAUBTXHL-UHFFFAOYSA-N
MW313.39 g/mol
LogP2.67
Rot. Bonds4

About 4-(propan-2-ylamino)-7-(1,2-thiazol-4-yl)cinnoline-3-carboxamide

4-(propan-2-ylamino)-7-(1,2-thiazol-4-yl)cinnoline-3-carboxamide (PubChem CID 71720656) has the molecular formula C15H15N5OS and a molecular weight of 313.39 g/mol. Its IUPAC name is 4-(propan-2-ylamino)-7-(1,2-thiazol-4-yl)cinnoline-3-carboxamide.

Molecular Properties

Compound Name4-(propan-2-ylamino)-7-(1,2-thiazol-4-yl)cinnoline-3-carboxamide
PubChem CID71720656
Molecular FormulaC15H15N5OS
Molecular Weight313.39 g/mol
Exact Mass313.10
IUPAC Name4-(propan-2-ylamino)-7-(1,2-thiazol-4-yl)cinnoline-3-carboxamide
SMILESCC(C)Nc1c(C(N)=O)nnc2cc(-c3cnsc3)ccc12
InChIInChI=1S/C15H15N5OS/c1-8(2)18-13-11-4-3-9(10-6-17-22-7-10)5-12(11)19-20-14(13)15(16)21/h3-8H,1-2H3,(H2,16,21)(H,18,19)
InChIKeyOIMDQFFAUBTXHL-UHFFFAOYSA-N
XLogP2.67
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(propan-2-ylamino)-7-(1,2-thiazol-4-yl)cinnoline-3-carboxamide?
The IUPAC name of 4-(propan-2-ylamino)-7-(1,2-thiazol-4-yl)cinnoline-3-carboxamide (CID 71720656) is 4-(propan-2-ylamino)-7-(1,2-thiazol-4-yl)cinnoline-3-carboxamide.
What is the SMILES notation for 4-(propan-2-ylamino)-7-(1,2-thiazol-4-yl)cinnoline-3-carboxamide?
The canonical SMILES for 4-(propan-2-ylamino)-7-(1,2-thiazol-4-yl)cinnoline-3-carboxamide is CC(C)Nc1c(C(N)=O)nnc2cc(-c3cnsc3)ccc12.
What is the InChIKey of 4-(propan-2-ylamino)-7-(1,2-thiazol-4-yl)cinnoline-3-carboxamide?
The InChIKey is OIMDQFFAUBTXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5OS/c1-8(2)18-13-11-4-3-9(10-6-17-22-7-10)5-12(11)19-20-14(13)15(16)21/h3-8H,1-2H3,(H2,16,21)(H,18,19).
What are the key properties of 4-(propan-2-ylamino)-7-(1,2-thiazol-4-yl)cinnoline-3-carboxamide?
4-(propan-2-ylamino)-7-(1,2-thiazol-4-yl)cinnoline-3-carboxamide has a molecular weight of 313.39 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propan-2-ylamino)-7-(1,2-thiazol-4-yl)cinnoline-3-carboxamide is sourced from PubChem (CID 71720656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).