4-methyl-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide

C18H22N4O3S — CID 9394841

IUPAC4-methyl-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(N2CCOCC2)sc1C(=O)N/N=C\c1ccc([C@H]2C[C@@H]2C)o1
InChIInChI=1S/C18H22N4O3S/c1-11-9-14(11)15-4-3-13(25-15)10-19-21-17(23)16-12(2)20-18(26-16)22-5-7-24-8-6-22/h3-4,10-11,14H,5-9H2,1-2H3,(H,21,23)/b19-10-/t11-,14-/m0/s1
InChIKeyXKRJOWJRTHDCCP-LGUYXWDHSA-N
MW374.47 g/mol
LogP2.77
Rot. Bonds5

About 4-methyl-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide

4-methyl-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide (PubChem CID 9394841) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is 4-methyl-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
PubChem CID9394841
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC Name4-methyl-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(N2CCOCC2)sc1C(=O)N/N=C\c1ccc([C@H]2C[C@@H]2C)o1
InChIInChI=1S/C18H22N4O3S/c1-11-9-14(11)15-4-3-13(25-15)10-19-21-17(23)16-12(2)20-18(26-16)22-5-7-24-8-6-22/h3-4,10-11,14H,5-9H2,1-2H3,(H,21,23)/b19-10-/t11-,14-/m0/s1
InChIKeyXKRJOWJRTHDCCP-LGUYXWDHSA-N
XLogP2.77
TPSA79.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N'-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoyl]-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
CID 55462805
4-fluoro-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]benzamide
CID 9390659
4-hydroxy-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]benzamide
CID 9391276
5-ethyl-4-methyl-N-[(Z)-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]thiophene-2-carboxamide
CID 9396442
4-methyl-N'-(5-methylfuran-2-carbonyl)-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
CID 25444482
N-tert-butyl-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 154568714
4-methyl-2-morpholin-4-yl-N'-(thiophene-3-carbonyl)-1,3-thiazole-5-carbohydrazide
CID 25446747
4-amino-3,5,6-trichloro-N-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]pyridine-2-carboxamide
CID 9395129
tert-butyl N-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]carbamate
CID 9391101
N-[(Z)-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-4-nitrobenzamide
CID 9390561
4-methyl-N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 166624227
4-[(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 157011581

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide (CID 9394841) is 4-methyl-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide is Cc1nc(N2CCOCC2)sc1C(=O)N/N=C\c1ccc([C@H]2C[C@@H]2C)o1.
What is the InChIKey of 4-methyl-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide?
The InChIKey is XKRJOWJRTHDCCP-LGUYXWDHSA-N. The full InChI is InChI=1S/C18H22N4O3S/c1-11-9-14(11)15-4-3-13(25-15)10-19-21-17(23)16-12(2)20-18(26-16)22-5-7-24-8-6-22/h3-4,10-11,14H,5-9H2,1-2H3,(H,21,23)/b19-10-/t11-,14-/m0/s1.
What are the key properties of 4-methyl-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide?
4-methyl-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide has a molecular weight of 374.47 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 9394841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).