N-(1-aminopropan-2-yl)-2-anilino-N-methylthieno[2,3-d][1,3]thiazole-5-carboxamide

C16H18N4OS2 — CID 119585103

IUPACN-(1-aminopropan-2-yl)-2-anilino-N-methylthieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESCC(CN)N(C)C(=O)c1cc2sc(Nc3ccccc3)nc2s1
InChIInChI=1S/C16H18N4OS2/c1-10(9-17)20(2)15(21)13-8-12-14(22-13)19-16(23-12)18-11-6-4-3-5-7-11/h3-8,10H,9,17H2,1-2H3,(H,18,19)
InChIKeyUVRBDYJRDJYDJI-UHFFFAOYSA-N
MW346.48 g/mol
LogP3.52
Rot. Bonds5

About N-(1-aminopropan-2-yl)-2-anilino-N-methylthieno[2,3-d][1,3]thiazole-5-carboxamide

N-(1-aminopropan-2-yl)-2-anilino-N-methylthieno[2,3-d][1,3]thiazole-5-carboxamide (PubChem CID 119585103) has the molecular formula C16H18N4OS2 and a molecular weight of 346.48 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-2-anilino-N-methylthieno[2,3-d][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-2-anilino-N-methylthieno[2,3-d][1,3]thiazole-5-carboxamide
PubChem CID119585103
Molecular FormulaC16H18N4OS2
Molecular Weight346.48 g/mol
Exact Mass346.09
IUPAC NameN-(1-aminopropan-2-yl)-2-anilino-N-methylthieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESCC(CN)N(C)C(=O)c1cc2sc(Nc3ccccc3)nc2s1
InChIInChI=1S/C16H18N4OS2/c1-10(9-17)20(2)15(21)13-8-12-14(22-13)19-16(23-12)18-11-6-4-3-5-7-11/h3-8,10H,9,17H2,1-2H3,(H,18,19)
InChIKeyUVRBDYJRDJYDJI-UHFFFAOYSA-N
XLogP3.52
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-2-anilino-N-methylthieno[2,3-d][1,3]thiazole-5-carboxamide?
The IUPAC name of N-(1-aminopropan-2-yl)-2-anilino-N-methylthieno[2,3-d][1,3]thiazole-5-carboxamide (CID 119585103) is N-(1-aminopropan-2-yl)-2-anilino-N-methylthieno[2,3-d][1,3]thiazole-5-carboxamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-2-anilino-N-methylthieno[2,3-d][1,3]thiazole-5-carboxamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-2-anilino-N-methylthieno[2,3-d][1,3]thiazole-5-carboxamide is CC(CN)N(C)C(=O)c1cc2sc(Nc3ccccc3)nc2s1.
What is the InChIKey of N-(1-aminopropan-2-yl)-2-anilino-N-methylthieno[2,3-d][1,3]thiazole-5-carboxamide?
The InChIKey is UVRBDYJRDJYDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4OS2/c1-10(9-17)20(2)15(21)13-8-12-14(22-13)19-16(23-12)18-11-6-4-3-5-7-11/h3-8,10H,9,17H2,1-2H3,(H,18,19).
What are the key properties of N-(1-aminopropan-2-yl)-2-anilino-N-methylthieno[2,3-d][1,3]thiazole-5-carboxamide?
N-(1-aminopropan-2-yl)-2-anilino-N-methylthieno[2,3-d][1,3]thiazole-5-carboxamide has a molecular weight of 346.48 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-2-anilino-N-methylthieno[2,3-d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 119585103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).