N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide

C16H17N5OS — CID 127042290

IUPACN-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1nc2sccn2c1C(=O)N/N=C/c1ccc(N(C)C)cc1
InChIInChI=1S/C16H17N5OS/c1-11-14(21-8-9-23-16(21)18-11)15(22)19-17-10-12-4-6-13(7-5-12)20(2)3/h4-10H,1-3H3,(H,19,22)/b17-10+
InChIKeyYDLMFBKFOKHRNO-LICLKQGHSA-N
MW327.41 g/mol
LogP2.53
Rot. Bonds4

About N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide

N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 127042290) has the molecular formula C16H17N5OS and a molecular weight of 327.41 g/mol. Its IUPAC name is N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
PubChem CID127042290
Molecular FormulaC16H17N5OS
Molecular Weight327.41 g/mol
Exact Mass327.12
IUPAC NameN-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1nc2sccn2c1C(=O)N/N=C/c1ccc(N(C)C)cc1
InChIInChI=1S/C16H17N5OS/c1-11-14(21-8-9-23-16(21)18-11)15(22)19-17-10-12-4-6-13(7-5-12)20(2)3/h4-10H,1-3H3,(H,19,22)/b17-10+
InChIKeyYDLMFBKFOKHRNO-LICLKQGHSA-N
XLogP2.53
TPSA62.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.53
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The IUPAC name of N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 127042290) is N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide.
What is the SMILES notation for N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The canonical SMILES for N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide is Cc1nc2sccn2c1C(=O)N/N=C/c1ccc(N(C)C)cc1.
What is the InChIKey of N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The InChIKey is YDLMFBKFOKHRNO-LICLKQGHSA-N. The full InChI is InChI=1S/C16H17N5OS/c1-11-14(21-8-9-23-16(21)18-11)15(22)19-17-10-12-4-6-13(7-5-12)20(2)3/h4-10H,1-3H3,(H,19,22)/b17-10+.
What are the key properties of N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide has a molecular weight of 327.41 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 127042290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).