2-amino-N-[(Z)-furan-2-ylmethylideneamino]-4-methyl-1,3-thiazole-5-carboxamide

C10H10N4O2S — CID 5397151

IUPAC2-amino-N-[(Z)-furan-2-ylmethylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(N)sc1C(=O)N/N=C\c1ccco1
InChIInChI=1S/C10H10N4O2S/c1-6-8(17-10(11)13-6)9(15)14-12-5-7-3-2-4-16-7/h2-5H,1H3,(H2,11,13)(H,14,15)/b12-5-
InChIKeyPBCJAIHHKWJEBC-XGICHPGQSA-N
MW250.28 g/mol
LogP1.39
Rot. Bonds3

About 2-amino-N-[(Z)-furan-2-ylmethylideneamino]-4-methyl-1,3-thiazole-5-carboxamide

2-amino-N-[(Z)-furan-2-ylmethylideneamino]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 5397151) has the molecular formula C10H10N4O2S and a molecular weight of 250.28 g/mol. Its IUPAC name is 2-amino-N-[(Z)-furan-2-ylmethylideneamino]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(Z)-furan-2-ylmethylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID5397151
Molecular FormulaC10H10N4O2S
Molecular Weight250.28 g/mol
Exact Mass250.05
IUPAC Name2-amino-N-[(Z)-furan-2-ylmethylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(N)sc1C(=O)N/N=C\c1ccco1
InChIInChI=1S/C10H10N4O2S/c1-6-8(17-10(11)13-6)9(15)14-12-5-7-3-2-4-16-7/h2-5H,1H3,(H2,11,13)(H,14,15)/b12-5-
InChIKeyPBCJAIHHKWJEBC-XGICHPGQSA-N
XLogP1.39
TPSA93.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 51.39
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

2-amino-N-[(Z)-(4-hydroxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 136702168
2-amino-4-methyl-N-[(3-methylphenyl)methylideneamino]-1,3-thiazole-5-carboxamide
CID 727684
2-amino-4-methyl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazole-5-carboxamide
CID 5398429
2-amino-N-[(Z)-(3-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 5398570
N-[(Z)-furan-2-ylmethylideneamino]-4-methylbenzamide
CID 5402801
[(E)-furan-2-ylmethylideneamino]carbamic acid
CID 23219991
N-[(Z)-furan-2-ylmethylideneamino]-4-methoxybenzamide
CID 5372129
N-(furan-2-ylmethylideneamino)-2-methylquinoline-3-carboxamide
CID 838465
2-amino-N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 7240387
N-[(Z)-furan-2-ylmethylideneamino]-2-methylbenzamide
CID 5411378
2-amino-N-[(Z)-(3-bromo-4-propoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 110510256
2-amino-4-ethyl-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-1,3-thiazole-5-carboxamide
CID 110511354

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(Z)-furan-2-ylmethylideneamino]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-N-[(Z)-furan-2-ylmethylideneamino]-4-methyl-1,3-thiazole-5-carboxamide (CID 5397151) is 2-amino-N-[(Z)-furan-2-ylmethylideneamino]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-N-[(Z)-furan-2-ylmethylideneamino]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-N-[(Z)-furan-2-ylmethylideneamino]-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(N)sc1C(=O)N/N=C\c1ccco1.
What is the InChIKey of 2-amino-N-[(Z)-furan-2-ylmethylideneamino]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is PBCJAIHHKWJEBC-XGICHPGQSA-N. The full InChI is InChI=1S/C10H10N4O2S/c1-6-8(17-10(11)13-6)9(15)14-12-5-7-3-2-4-16-7/h2-5H,1H3,(H2,11,13)(H,14,15)/b12-5-.
What are the key properties of 2-amino-N-[(Z)-furan-2-ylmethylideneamino]-4-methyl-1,3-thiazole-5-carboxamide?
2-amino-N-[(Z)-furan-2-ylmethylideneamino]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 250.28 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(Z)-furan-2-ylmethylideneamino]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 5397151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).