N-[(E)-(5-methyl-1H-imidazol-4-yl)methylideneamino]-4-oxo-4-(1,3-thiazol-4-yl)butanamide

C12H13N5O2S — CID 172930361

IUPACN-[(E)-(5-methyl-1H-imidazol-4-yl)methylideneamino]-4-oxo-4-(1,3-thiazol-4-yl)butanamide
SMILESCc1[nH]cnc1/C=N/NC(=O)CCC(=O)c1cscn1
InChIInChI=1S/C12H13N5O2S/c1-8-9(14-6-13-8)4-16-17-12(19)3-2-11(18)10-5-20-7-15-10/h4-7H,2-3H2,1H3,(H,13,14)(H,17,19)/b16-4+
InChIKeyDNWARZDQDHEGSD-AYSLTRBKSA-N
MW291.34 g/mol
LogP1.29
Rot. Bonds6

About N-[(E)-(5-methyl-1H-imidazol-4-yl)methylideneamino]-4-oxo-4-(1,3-thiazol-4-yl)butanamide

N-[(E)-(5-methyl-1H-imidazol-4-yl)methylideneamino]-4-oxo-4-(1,3-thiazol-4-yl)butanamide (PubChem CID 172930361) has the molecular formula C12H13N5O2S and a molecular weight of 291.34 g/mol. Its IUPAC name is N-[(E)-(5-methyl-1H-imidazol-4-yl)methylideneamino]-4-oxo-4-(1,3-thiazol-4-yl)butanamide.

Molecular Properties

Compound NameN-[(E)-(5-methyl-1H-imidazol-4-yl)methylideneamino]-4-oxo-4-(1,3-thiazol-4-yl)butanamide
PubChem CID172930361
Molecular FormulaC12H13N5O2S
Molecular Weight291.34 g/mol
Exact Mass291.08
IUPAC NameN-[(E)-(5-methyl-1H-imidazol-4-yl)methylideneamino]-4-oxo-4-(1,3-thiazol-4-yl)butanamide
SMILESCc1[nH]cnc1/C=N/NC(=O)CCC(=O)c1cscn1
InChIInChI=1S/C12H13N5O2S/c1-8-9(14-6-13-8)4-16-17-12(19)3-2-11(18)10-5-20-7-15-10/h4-7H,2-3H2,1H3,(H,13,14)(H,17,19)/b16-4+
InChIKeyDNWARZDQDHEGSD-AYSLTRBKSA-N
XLogP1.29
TPSA100.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

5-methyl-1-(1,3-thiazol-4-yl)hexan-1-one
CID 83161536
1-(5-methyl-1H-imidazol-4-yl)-N-propylmethanimine
CID 136819197
N-(1,3-thiazol-4-ylmethylideneamino)acetamide
CID 130738224
N,N'-bis[(Z)-(3-methylthiophen-2-yl)methylideneamino]butanediamide
CID 6385345
N-[(E)-1H-indol-3-ylmethylideneamino]-4-(4-methylphenyl)-4-oxobutanamide
CID 172933261
N,N'-bis[(Z)-(6-methyl-2-pyridinyl)methylideneamino]butanediamide
CID 6371795
N-[(E)-1H-pyrrol-2-ylmethylideneamino]-N'-[(Z)-1H-pyrrol-2-ylmethylideneamino]butanediamide
CID 136826339
S-(2-acetamido-2-oxoethyl) 1,3-thiazole-4-carbothioate
CID 23347854
N-[(E)-1H-indol-3-ylmethylideneamino]-N'-[(Z)-1H-indol-3-ylmethylideneamino]butanediamide
CID 136861417
N-butyl-1,3-thiazole-4-carboxamide;ethane
CID 176555037
N,N'-bis[(2,4,6-trimethylphenyl)methylideneamino]hexanediamide
CID 5110124
3-[4-methyl-N-(1,3-thiazole-4-carbonyl)anilino]propanoic acid
CID 63021821

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-methyl-1H-imidazol-4-yl)methylideneamino]-4-oxo-4-(1,3-thiazol-4-yl)butanamide?
The IUPAC name of N-[(E)-(5-methyl-1H-imidazol-4-yl)methylideneamino]-4-oxo-4-(1,3-thiazol-4-yl)butanamide (CID 172930361) is N-[(E)-(5-methyl-1H-imidazol-4-yl)methylideneamino]-4-oxo-4-(1,3-thiazol-4-yl)butanamide.
What is the SMILES notation for N-[(E)-(5-methyl-1H-imidazol-4-yl)methylideneamino]-4-oxo-4-(1,3-thiazol-4-yl)butanamide?
The canonical SMILES for N-[(E)-(5-methyl-1H-imidazol-4-yl)methylideneamino]-4-oxo-4-(1,3-thiazol-4-yl)butanamide is Cc1[nH]cnc1/C=N/NC(=O)CCC(=O)c1cscn1.
What is the InChIKey of N-[(E)-(5-methyl-1H-imidazol-4-yl)methylideneamino]-4-oxo-4-(1,3-thiazol-4-yl)butanamide?
The InChIKey is DNWARZDQDHEGSD-AYSLTRBKSA-N. The full InChI is InChI=1S/C12H13N5O2S/c1-8-9(14-6-13-8)4-16-17-12(19)3-2-11(18)10-5-20-7-15-10/h4-7H,2-3H2,1H3,(H,13,14)(H,17,19)/b16-4+.
What are the key properties of N-[(E)-(5-methyl-1H-imidazol-4-yl)methylideneamino]-4-oxo-4-(1,3-thiazol-4-yl)butanamide?
N-[(E)-(5-methyl-1H-imidazol-4-yl)methylideneamino]-4-oxo-4-(1,3-thiazol-4-yl)butanamide has a molecular weight of 291.34 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-methyl-1H-imidazol-4-yl)methylideneamino]-4-oxo-4-(1,3-thiazol-4-yl)butanamide is sourced from PubChem (CID 172930361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).