N-[5-[(1Z)-1-[(1-amino-2,2-dimethylpropylidene)amino]-3-methylbuta-1,3-dienyl]-4-methyl-1,3-thiazol-2-yl]imidazole-1-carboxamide

C18H24N6OS — CID 89091300

IUPACN-[5-[(1Z)-1-[(1-amino-2,2-dimethylpropylidene)amino]-3-methylbuta-1,3-dienyl]-4-methyl-1,3-thiazol-2-yl]imidazole-1-carboxamide
SMILESC=C(C)/C=C(\N=C(/N)C(C)(C)C)c1sc(NC(=O)n2ccnc2)nc1C
InChIInChI=1S/C18H24N6OS/c1-11(2)9-13(22-15(19)18(4,5)6)14-12(3)21-16(26-14)23-17(25)24-8-7-20-10-24/h7-10H,1H2,2-6H3,(H2,19,22)(H,21,23,25)/b13-9-
InChIKeyNRYFQJVYOUKCPI-LCYFTJDESA-N
MW372.50 g/mol
LogP4.05
Rot. Bonds4

About N-[5-[(1Z)-1-[(1-amino-2,2-dimethylpropylidene)amino]-3-methylbuta-1,3-dienyl]-4-methyl-1,3-thiazol-2-yl]imidazole-1-carboxamide

N-[5-[(1Z)-1-[(1-amino-2,2-dimethylpropylidene)amino]-3-methylbuta-1,3-dienyl]-4-methyl-1,3-thiazol-2-yl]imidazole-1-carboxamide (PubChem CID 89091300) has the molecular formula C18H24N6OS and a molecular weight of 372.50 g/mol. Its IUPAC name is N-[5-[(1Z)-1-[(1-amino-2,2-dimethylpropylidene)amino]-3-methylbuta-1,3-dienyl]-4-methyl-1,3-thiazol-2-yl]imidazole-1-carboxamide.

Molecular Properties

Compound NameN-[5-[(1Z)-1-[(1-amino-2,2-dimethylpropylidene)amino]-3-methylbuta-1,3-dienyl]-4-methyl-1,3-thiazol-2-yl]imidazole-1-carboxamide
PubChem CID89091300
Molecular FormulaC18H24N6OS
Molecular Weight372.50 g/mol
Exact Mass372.17
IUPAC NameN-[5-[(1Z)-1-[(1-amino-2,2-dimethylpropylidene)amino]-3-methylbuta-1,3-dienyl]-4-methyl-1,3-thiazol-2-yl]imidazole-1-carboxamide
SMILESC=C(C)/C=C(\N=C(/N)C(C)(C)C)c1sc(NC(=O)n2ccnc2)nc1C
InChIInChI=1S/C18H24N6OS/c1-11(2)9-13(22-15(19)18(4,5)6)14-12(3)21-16(26-14)23-17(25)24-8-7-20-10-24/h7-10H,1H2,2-6H3,(H2,19,22)(H,21,23,25)/b13-9-
InChIKeyNRYFQJVYOUKCPI-LCYFTJDESA-N
XLogP4.05
TPSA98.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.50
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(1Z)-1-[(1-amino-2,2-dimethylpropylidene)amino]-3-methylbuta-1,3-dienyl]-4-methyl-1,3-thiazol-2-yl]imidazole-1-carboxamide?
The IUPAC name of N-[5-[(1Z)-1-[(1-amino-2,2-dimethylpropylidene)amino]-3-methylbuta-1,3-dienyl]-4-methyl-1,3-thiazol-2-yl]imidazole-1-carboxamide (CID 89091300) is N-[5-[(1Z)-1-[(1-amino-2,2-dimethylpropylidene)amino]-3-methylbuta-1,3-dienyl]-4-methyl-1,3-thiazol-2-yl]imidazole-1-carboxamide.
What is the SMILES notation for N-[5-[(1Z)-1-[(1-amino-2,2-dimethylpropylidene)amino]-3-methylbuta-1,3-dienyl]-4-methyl-1,3-thiazol-2-yl]imidazole-1-carboxamide?
The canonical SMILES for N-[5-[(1Z)-1-[(1-amino-2,2-dimethylpropylidene)amino]-3-methylbuta-1,3-dienyl]-4-methyl-1,3-thiazol-2-yl]imidazole-1-carboxamide is C=C(C)/C=C(\N=C(/N)C(C)(C)C)c1sc(NC(=O)n2ccnc2)nc1C.
What is the InChIKey of N-[5-[(1Z)-1-[(1-amino-2,2-dimethylpropylidene)amino]-3-methylbuta-1,3-dienyl]-4-methyl-1,3-thiazol-2-yl]imidazole-1-carboxamide?
The InChIKey is NRYFQJVYOUKCPI-LCYFTJDESA-N. The full InChI is InChI=1S/C18H24N6OS/c1-11(2)9-13(22-15(19)18(4,5)6)14-12(3)21-16(26-14)23-17(25)24-8-7-20-10-24/h7-10H,1H2,2-6H3,(H2,19,22)(H,21,23,25)/b13-9-.
What are the key properties of N-[5-[(1Z)-1-[(1-amino-2,2-dimethylpropylidene)amino]-3-methylbuta-1,3-dienyl]-4-methyl-1,3-thiazol-2-yl]imidazole-1-carboxamide?
N-[5-[(1Z)-1-[(1-amino-2,2-dimethylpropylidene)amino]-3-methylbuta-1,3-dienyl]-4-methyl-1,3-thiazol-2-yl]imidazole-1-carboxamide has a molecular weight of 372.50 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(1Z)-1-[(1-amino-2,2-dimethylpropylidene)amino]-3-methylbuta-1,3-dienyl]-4-methyl-1,3-thiazol-2-yl]imidazole-1-carboxamide is sourced from PubChem (CID 89091300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).