2-[methyl(quinolin-6-yl)amino]-5-[[5-(morpholin-4-ylmethyl)thiophene-3-carbonyl]amino]-1,3-thiazole-4-carboxamide

C24H24N6O3S2 — CID 118063006

IUPAC2-[methyl(quinolin-6-yl)amino]-5-[[5-(morpholin-4-ylmethyl)thiophene-3-carbonyl]amino]-1,3-thiazole-4-carboxamide
SMILESCN(c1ccc2ncccc2c1)c1nc(C(N)=O)c(NC(=O)c2csc(CN3CCOCC3)c2)s1
InChIInChI=1S/C24H24N6O3S2/c1-29(17-4-5-19-15(11-17)3-2-6-26-19)24-27-20(21(25)31)23(35-24)28-22(32)16-12-18(34-14-16)13-30-7-9-33-10-8-30/h2-6,11-12,14H,7-10,13H2,1H3,(H2,25,31)(H,28,32)
InChIKeyOFVUWHXHPYOLDM-UHFFFAOYSA-N
MW508.63 g/mol
LogP3.70
Rot. Bonds7

About 2-[methyl(quinolin-6-yl)amino]-5-[[5-(morpholin-4-ylmethyl)thiophene-3-carbonyl]amino]-1,3-thiazole-4-carboxamide

2-[methyl(quinolin-6-yl)amino]-5-[[5-(morpholin-4-ylmethyl)thiophene-3-carbonyl]amino]-1,3-thiazole-4-carboxamide (PubChem CID 118063006) has the molecular formula C24H24N6O3S2 and a molecular weight of 508.63 g/mol. Its IUPAC name is 2-[methyl(quinolin-6-yl)amino]-5-[[5-(morpholin-4-ylmethyl)thiophene-3-carbonyl]amino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[methyl(quinolin-6-yl)amino]-5-[[5-(morpholin-4-ylmethyl)thiophene-3-carbonyl]amino]-1,3-thiazole-4-carboxamide
PubChem CID118063006
Molecular FormulaC24H24N6O3S2
Molecular Weight508.63 g/mol
Exact Mass508.14
IUPAC Name2-[methyl(quinolin-6-yl)amino]-5-[[5-(morpholin-4-ylmethyl)thiophene-3-carbonyl]amino]-1,3-thiazole-4-carboxamide
SMILESCN(c1ccc2ncccc2c1)c1nc(C(N)=O)c(NC(=O)c2csc(CN3CCOCC3)c2)s1
InChIInChI=1S/C24H24N6O3S2/c1-29(17-4-5-19-15(11-17)3-2-6-26-19)24-27-20(21(25)31)23(35-24)28-22(32)16-12-18(34-14-16)13-30-7-9-33-10-8-30/h2-6,11-12,14H,7-10,13H2,1H3,(H2,25,31)(H,28,32)
InChIKeyOFVUWHXHPYOLDM-UHFFFAOYSA-N
XLogP3.70
TPSA113.68 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.63
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(quinolin-6-yl)amino]-5-[[5-(morpholin-4-ylmethyl)thiophene-3-carbonyl]amino]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[methyl(quinolin-6-yl)amino]-5-[[5-(morpholin-4-ylmethyl)thiophene-3-carbonyl]amino]-1,3-thiazole-4-carboxamide (CID 118063006) is 2-[methyl(quinolin-6-yl)amino]-5-[[5-(morpholin-4-ylmethyl)thiophene-3-carbonyl]amino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[methyl(quinolin-6-yl)amino]-5-[[5-(morpholin-4-ylmethyl)thiophene-3-carbonyl]amino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[methyl(quinolin-6-yl)amino]-5-[[5-(morpholin-4-ylmethyl)thiophene-3-carbonyl]amino]-1,3-thiazole-4-carboxamide is CN(c1ccc2ncccc2c1)c1nc(C(N)=O)c(NC(=O)c2csc(CN3CCOCC3)c2)s1.
What is the InChIKey of 2-[methyl(quinolin-6-yl)amino]-5-[[5-(morpholin-4-ylmethyl)thiophene-3-carbonyl]amino]-1,3-thiazole-4-carboxamide?
The InChIKey is OFVUWHXHPYOLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O3S2/c1-29(17-4-5-19-15(11-17)3-2-6-26-19)24-27-20(21(25)31)23(35-24)28-22(32)16-12-18(34-14-16)13-30-7-9-33-10-8-30/h2-6,11-12,14H,7-10,13H2,1H3,(H2,25,31)(H,28,32).
What are the key properties of 2-[methyl(quinolin-6-yl)amino]-5-[[5-(morpholin-4-ylmethyl)thiophene-3-carbonyl]amino]-1,3-thiazole-4-carboxamide?
2-[methyl(quinolin-6-yl)amino]-5-[[5-(morpholin-4-ylmethyl)thiophene-3-carbonyl]amino]-1,3-thiazole-4-carboxamide has a molecular weight of 508.63 g/mol, XLogP of 3.70, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(quinolin-6-yl)amino]-5-[[5-(morpholin-4-ylmethyl)thiophene-3-carbonyl]amino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 118063006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).